# systems

unique_id: e0c8a3e45acf9a14f9c228616003a35f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.04441518486, "project": "organometal", "name": "CsSnI2Br", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.04336740974, "space_group": "Pnma", "gllbsc_dir_gap": 3.14391725813}


unique_id: 293a1efcd76cc147b6c1f9e4d7958ea0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.3765507463, "project": "organometal", "name": "CsSnI2Br", "symmetry": "cubic", "gllbsc_ind_gap": 0.35917768024999996, "space_group": "Pm-3m", "gllbsc_dir_gap": 0.35917768025099994}


unique_id: 46e500718bd1c626f4dd2875063b1417
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.634042413404, "project": "organometal", "name": "CsSnI2Cl", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.43154968344, "space_group": "Pbnm", "gllbsc_dir_gap": 1.431549683444}


unique_id: 59ef7ea01a5a6d4f09822eac9d3613f8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.15823274358, "project": "organometal", "name": "CsSnI2Cl", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.43936981886, "space_group": "Pnma", "gllbsc_dir_gap": 3.4944619274799997}


unique_id: a82cc9b8532f4a107fa8291e320f8665
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.0952559152, "project": "organometal", "name": "CsSnI2Cl", "symmetry": "tetragonal", "gllbsc_ind_gap": 1.6167531023700001, "space_group": "P4/mbm", "gllbsc_dir_gap": 1.6167531023720003}


unique_id: e446db0a28634aae949d2c3fcacd232b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.703882642607, "project": "organometal", "name": "FAPbI3", "symmetry": "tetragonal", "gllbsc_ind_gap": 1.28281867279, "space_group": "P4/mbm", "gllbsc_dir_gap": 1.309251688777}


unique_id: 69ed409a5a82647d2779f135475c7b5f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.04438668383, "project": "organometal", "name": "FAPbI3", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 2.4067249019, "space_group": "Pnma", "gllbsc_dir_gap": 2.79253315234}


unique_id: a8462eb16c2e7a2c86d8f6779abe927c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.697388706701, "project": "organometal", "name": "FAPbI3", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 0.70291391085, "space_group": "Pbnm", "gllbsc_dir_gap": 0.7029139108510001}


unique_id: 970da66eead2b7b6d3e92f5b1a0df8e3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.770664454849, "project": "organometal", "name": "FAPbI3", "symmetry": "cubic", "gllbsc_ind_gap": 1.4741203248299999, "space_group": "Pm-3m", "gllbsc_dir_gap": 1.4741203248389998}


unique_id: b7b358f149cc0c287c6bf2cfb321f2eb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.341193084007, "project": "organometal", "name": "MASnI3", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 0.19440865226100001, "space_group": "Pbnm", "gllbsc_dir_gap": 0.34377041493999994}


unique_id: 30df05804d15d16420a6e94c168d4258
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.492206610792, "project": "organometal", "name": "CsSnCl3", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.4555802878100002, "space_group": "Pbnm", "gllbsc_dir_gap": 1.4555802878119999}


unique_id: d8c88ac0927dd915c3c487db1abb29ff
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.358486631514, "project": "organometal", "name": "CsSnCl3", "symmetry": "cubic", "gllbsc_ind_gap": 0.9687528729600001, "space_group": "Pm-3m", "gllbsc_dir_gap": 0.968752872963}


unique_id: bf36f300cf8340808fdf3299391130fa
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.48129392271, "project": "organometal", "name": "CsSnCl3", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 4.65820598022, "space_group": "Pnma", "gllbsc_dir_gap": 4.7705206562199995}


unique_id: a8900259f0631d43c9b82be8fc9283b1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.443453721293, "project": "organometal", "name": "CsSnCl3", "symmetry": "tetragonal", "gllbsc_ind_gap": 1.2853429904799998, "space_group": "P4/mbm", "gllbsc_dir_gap": 1.285342990483}


unique_id: 3749d6aae143345a2a332c038d6856c6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.902654652358, "project": "organometal", "name": "CsPbCl3", "symmetry": "cubic", "gllbsc_ind_gap": 2.2650727745, "space_group": "Pm-3m", "gllbsc_dir_gap": 2.2650727745080004}


unique_id: 777faf2ce365b7f3ccb7ae7d41ad43ed
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.07275882079, "project": "organometal", "name": "CsPbCl3", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 2.85538481061, "space_group": "Pbnm", "gllbsc_dir_gap": 2.85538481061}


unique_id: a12fe92d9b642c0f7cb5b24ea2fc49f5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.00429028189, "project": "organometal", "name": "CsPbCl3", "symmetry": "tetragonal", "gllbsc_ind_gap": 2.6168767285800003, "space_group": "P4/mbm", "gllbsc_dir_gap": 2.61687672858}


unique_id: b7601bce974806fc838845f2b4d5141a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.650136404463, "project": "organometal", "name": "CsSnI3", "symmetry": "tetragonal", "gllbsc_ind_gap": 0.7322658382999999, "space_group": "P4/mbm", "gllbsc_dir_gap": 0.732265838298}


unique_id: aa435d1fe98a97dce408df522d877a1c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.276409009925, "project": "organometal", "name": "CsSnI3", "symmetry": "cubic", "gllbsc_ind_gap": 0.22965445115500005, "space_group": "Pm-3m", "gllbsc_dir_gap": 0.22965445115499994}


unique_id: dcbbfd336c0ca5f869e569be3eec4658
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.726399842083, "project": "organometal", "name": "MAPbI3", "symmetry": "cubic", "gllbsc_ind_gap": 1.3587023609200002, "space_group": "Pm-3m", "gllbsc_dir_gap": 1.358702360923}


unique_id: e90bf206e3a0b17cb96719242334d35a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.21313091789, "project": "organometal", "name": "MAPbI3", "symmetry": "tetragonal", "gllbsc_ind_gap": 2.0348235952100002, "space_group": "P4/mbm", "gllbsc_dir_gap": 2.07824342249}


unique_id: e68887d12c7cccf4191d3262c4d5b150
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.471242121479, "project": "organometal", "name": "MAPbI3", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 0.5310161630699999, "space_group": "Pbnm", "gllbsc_dir_gap": 0.6014001860290001}


unique_id: 206fcaa5ca21eb91c06edd289051d457
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.20197130024, "project": "organometal", "name": "MAPbI3", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 2.82241396753, "space_group": "Pnma", "gllbsc_dir_gap": 2.8938431128100004}


unique_id: f7cdd0b6d01d188e1444dea18ec745d5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.08550613597, "project": "organometal", "name": "MAPbBr3", "symmetry": "tetragonal", "gllbsc_ind_gap": 2.66885968586, "space_group": "P4/mbm", "gllbsc_dir_gap": 2.6688596858599998}


unique_id: 57021768104b6c3002be6dc9e6c7180f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.931504873855, "project": "organometal", "name": "MAPbBr3", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 2.2354904683, "space_group": "Pbnm", "gllbsc_dir_gap": 2.250840138085}


unique_id: 555bd8b2a83ff6ba6472d13451312d8a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.854838576322, "project": "organometal", "name": "MAPbBr3", "symmetry": "cubic", "gllbsc_ind_gap": 1.9638606150000002, "space_group": "Pm-3m", "gllbsc_dir_gap": 1.963860615002}


unique_id: 9b0ee721d050f44cc96bf7ea93bff5a2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.48035699628, "project": "organometal", "name": "MAPbBr3", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.7905945187500003, "space_group": "Pnma", "gllbsc_dir_gap": 3.8486287740500003}


unique_id: 2e972c5419f1517a74cc7d82aefa0ef4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.579436755836, "project": "organometal", "name": "FASnBr3", "symmetry": "cubic", "gllbsc_ind_gap": 1.67320119588, "space_group": "Pm-3m", "gllbsc_dir_gap": 1.6864899998060001}


unique_id: bfe52b5c3f0dace2804ced68031f157a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.979726390334, "project": "organometal", "name": "FASnBr3", "symmetry": "tetragonal", "gllbsc_ind_gap": 2.64832228221, "space_group": "P4/mbm", "gllbsc_dir_gap": 2.648322282214}


unique_id: bd620e6160dec9424279376c623f7864
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.614453083479, "project": "organometal", "name": "FASnBr3", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.65166426053, "space_group": "Pbnm", "gllbsc_dir_gap": 1.651664260529}


unique_id: f326934396a6be024d882858ddbe8d6b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.2049749346, "project": "organometal", "name": "FASnBr3", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.67477057366, "space_group": "Pnma", "gllbsc_dir_gap": 4.12118822766}


unique_id: 174390a5db1c0c817006c1128cbc8f5b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.22108881066, "project": "organometal", "name": "CsPbI3", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 2.9235026994999997, "space_group": "Pnma", "gllbsc_dir_gap": 2.97230661216}


unique_id: e34c41cadcc7cc1469c7c685dc32c4b9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.734730453254, "project": "organometal", "name": "CsPbI3", "symmetry": "tetragonal", "gllbsc_ind_gap": 1.30872955842, "space_group": "P4/mbm", "gllbsc_dir_gap": 1.3087295584240004}


unique_id: 1d239d7da9995d6a9c4df7989954661d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.912159889193, "project": "organometal", "name": "CsPbICl2", "symmetry": "cubic", "gllbsc_ind_gap": 2.10304158161, "space_group": "Pm-3m", "gllbsc_dir_gap": 2.206652320043}


unique_id: 5bf0e8706f3cc391e8718d63d26173ac
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.80978707469, "project": "organometal", "name": "CsPbICl2", "symmetry": "tetragonal", "gllbsc_ind_gap": 1.76971754643, "space_group": "P4/mbm", "gllbsc_dir_gap": 1.76971754643}


unique_id: c5b600c40b474df5236c01dc2f101b29
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.41051342161, "project": "organometal", "name": "CsPbICl2", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.72031405731, "space_group": "Pnma", "gllbsc_dir_gap": 3.75491809343}


unique_id: 3175c4c03858a882e02f4d43a6cb2159
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.67000945775, "project": "organometal", "name": "MAPbCl3", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 4.505846312279999, "space_group": "Pnma", "gllbsc_dir_gap": 4.60633652594}


unique_id: 4d13aa80d00e3b15b1cf48ba4e5fa908
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.02529978005, "project": "organometal", "name": "MAPbCl3", "symmetry": "cubic", "gllbsc_ind_gap": 2.71236708244, "space_group": "Pm-3m", "gllbsc_dir_gap": 2.71236708244}


unique_id: cfd6dc80557c742eca55ce71dfcde531
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.24516207447, "project": "organometal", "name": "MAPbCl3", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 3.3871752155199997, "space_group": "Pbnm", "gllbsc_dir_gap": 3.3871752155300006}


unique_id: 31835cb6f4c5c09df9b1c3b0e4f0941d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.50697406192, "project": "organometal", "name": "FAPbCl3", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 4.12110639354, "space_group": "Pnma", "gllbsc_dir_gap": 4.3891487076099995}


unique_id: 8773ad812c24990ef3e650b2aeeeadbe
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.15709530052, "project": "organometal", "name": "FAPbCl3", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 3.1496672983900003, "space_group": "Pbnm", "gllbsc_dir_gap": 3.1496672983900003}


unique_id: a633cc63431af9426b9017ba84ca76ce
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.41942849607, "project": "organometal", "name": "FAPbCl3", "symmetry": "tetragonal", "gllbsc_ind_gap": 3.89097312506, "space_group": "P4/mbm", "gllbsc_dir_gap": 3.890973125060001}


unique_id: eff5c7840d6034b80e59d4593f9e2488
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.874918330635, "project": "organometal", "name": "CsPbBr2Cl", "symmetry": "tetragonal", "gllbsc_ind_gap": 2.05231258484, "space_group": "P4/mbm", "gllbsc_dir_gap": 2.052312584835}


unique_id: dc12d7651dbe536015c0f1a24173ae80
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.46826958507, "project": "organometal", "name": "CsPbBr2Cl", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.9358921141, "space_group": "Pnma", "gllbsc_dir_gap": 4.0709952385}


unique_id: d2848854b35f5f1f09f29b803766264d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.938992973983, "project": "organometal", "name": "CsPbBr2Cl", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 2.29458334163, "space_group": "Pbnm", "gllbsc_dir_gap": 2.294583341633}


unique_id: 1b8eaa71935a973e94888a9b49411e40
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.19143249363, "project": "organometal", "name": "MASnIBr2", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.47154540915, "space_group": "Pnma", "gllbsc_dir_gap": 3.5562841392199998}


unique_id: 1b9795b2e140ec4d076395e0cfc78620
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.31493575416, "project": "organometal", "name": "FAPbICl2", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.19692000148, "space_group": "Pnma", "gllbsc_dir_gap": 3.2612246296500005}


unique_id: 5cf2345ca833f7495d3e16ca48ced984
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.946853999558, "project": "organometal", "name": "FAPbICl2", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 2.33214819359, "space_group": "Pbnm", "gllbsc_dir_gap": 2.393771691848}


unique_id: f24a0e8d16523ccb8c1bdd73609044c1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.04138288079, "project": "organometal", "name": "FAPbICl2", "symmetry": "tetragonal", "gllbsc_ind_gap": 2.54756353366, "space_group": "P4/mbm", "gllbsc_dir_gap": 2.5613223783900003}


unique_id: e752ed2578ec2a187580d03d8ed3e3d7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.815811504549, "project": "organometal", "name": "FASnCl3", "symmetry": "cubic", "gllbsc_ind_gap": 2.54916455294, "space_group": "Pm-3m", "gllbsc_dir_gap": 2.549164552939}


unique_id: 198a979c37293a1cbc4588b2d447254e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.23799683684, "project": "organometal", "name": "FASnCl3", "symmetry": "tetragonal", "gllbsc_ind_gap": 3.93031073795, "space_group": "P4/mbm", "gllbsc_dir_gap": 3.93031073795}


unique_id: fe2830db56d6c51f9351ce5d2bb89b6a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.985409608652, "project": "organometal", "name": "FASnCl3", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 3.13844056629, "space_group": "Pbnm", "gllbsc_dir_gap": 3.138440566292}


unique_id: 8f48eeb2e09ab61f076b9b9b2fb4c797
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.48828992385, "project": "organometal", "name": "FASnCl3", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 4.58841821792, "space_group": "Pnma", "gllbsc_dir_gap": 4.8936347503399995}


unique_id: 2cd1d86dbacfbdb143f39924613ee04c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.958960636947, "project": "organometal", "name": "FAPbBr3", "symmetry": "cubic", "gllbsc_ind_gap": 2.29018964607, "space_group": "Pm-3m", "gllbsc_dir_gap": 2.290189646077}


unique_id: 7931dc4fa4ec7c9de0138bbfb626b1a7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.31266708629, "project": "organometal", "name": "FAPbBr3", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.3644895614599997, "space_group": "Pnma", "gllbsc_dir_gap": 3.6671629543299997}


unique_id: bd6ce36d1e3ba923f5d2343bb422917c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.19411188837, "project": "organometal", "name": "MAPbBr2Cl", "symmetry": "tetragonal", "gllbsc_ind_gap": 3.0662138543300004, "space_group": "P4/mbm", "gllbsc_dir_gap": 3.1141142804900004}


unique_id: 40dba6e595cddf5821adc2177258b351
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.911220481893, "project": "organometal", "name": "MAPbBr2Cl", "symmetry": "cubic", "gllbsc_ind_gap": 2.17703760174, "space_group": "Pm-3m", "gllbsc_dir_gap": 2.1770376017329998}


unique_id: 31fd12064dde4daee9924ecc7da19d06
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.56959420646, "project": "organometal", "name": "MAPbBr2Cl", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 4.100280294380001, "space_group": "Pnma", "gllbsc_dir_gap": 4.11955193765}


unique_id: 269025f84898a9f6c458c6e214cd8806
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.04546786569, "project": "organometal", "name": "MAPbBr2Cl", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 2.64881066628, "space_group": "Pbnm", "gllbsc_dir_gap": 2.70587580415}


unique_id: a96941b5bcc0ff200a956ac08c7aacd3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.580658736168, "project": "organometal", "name": "CsSnBr3", "symmetry": "tetragonal", "gllbsc_ind_gap": 0.9679678368600002, "space_group": "P4/mbm", "gllbsc_dir_gap": 0.967967836858}


unique_id: de2970148ba8e3196005a4cf94ff1de3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.951204800616, "project": "organometal", "name": "FASnI2Br", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 2.83268650203, "space_group": "Pnma", "gllbsc_dir_gap": 3.306491081996}


unique_id: 8589a0e4aa62b5ff7762082758335630
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.685671067645, "project": "organometal", "name": "FASnI2Br", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 0.8388366280400001, "space_group": "Pbnm", "gllbsc_dir_gap": 0.858047042011}


unique_id: 8f1a812a90916e899374795f392b895b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.904030188959, "project": "organometal", "name": "CsPbBrCl2", "symmetry": "tetragonal", "gllbsc_ind_gap": 2.19075808719, "space_group": "P4/mbm", "gllbsc_dir_gap": 2.1907580871890002}


unique_id: af29c3811bcdb71712da081eb148bd02
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.80179866916, "project": "organometal", "name": "MASnBrCl2", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 2.44949158395, "space_group": "Pbnm", "gllbsc_dir_gap": 2.44949158395}


unique_id: 3daceb12479a9a34e29e6c0eab0f69c4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.1357702964, "project": "organometal", "name": "MASnBrCl2", "symmetry": "tetragonal", "gllbsc_ind_gap": 3.5119693366, "space_group": "P4/mbm", "gllbsc_dir_gap": 3.5241563026700002}


unique_id: 4ec7b1f9c194f58b32f7086cb77e05aa
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.46946543982, "project": "organometal", "name": "MASnBrCl2", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 4.37024095639, "space_group": "Pnma", "gllbsc_dir_gap": 4.5318005247}


unique_id: cdfd42567a2609ca1b717319bbe63cd5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.07282508811, "project": "organometal", "name": "FASnI2Cl", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.23975450048, "space_group": "Pnma", "gllbsc_dir_gap": 3.62134781467}


unique_id: 4a585e73bbcd5372157e4d87bafceafa
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.510658711278, "project": "organometal", "name": "FASnI2Cl", "symmetry": "cubic", "gllbsc_ind_gap": 1.3609177687899998, "space_group": "Pm-3m", "gllbsc_dir_gap": 1.360917768788}


unique_id: bab4a3528ce966c309eedfb9f5fad552
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.673746048024, "project": "organometal", "name": "FASnI2Cl", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.02085497787, "space_group": "Pbnm", "gllbsc_dir_gap": 1.0713966110570001}


unique_id: 96ddb523fc02417363c2c698bb4e6ca2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.08326466902, "project": "organometal", "name": "CsSnIBr2", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.24214771736, "space_group": "Pnma", "gllbsc_dir_gap": 3.3288143484100003}


unique_id: 6a1465076274dd81bdfc84a74ad488a9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.35701751896, "project": "organometal", "name": "MASnCl3", "symmetry": "tetragonal", "gllbsc_ind_gap": 4.25071241867, "space_group": "P4/mbm", "gllbsc_dir_gap": 4.25071241867}


unique_id: a72cc3685740c596a8ccafc055905bc2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.985641445458, "project": "organometal", "name": "MASnCl3", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 3.07415535609, "space_group": "Pbnm", "gllbsc_dir_gap": 3.074155356088}


unique_id: 43e2b398088e8ee3daed08091b251fee
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.6081654948, "project": "organometal", "name": "MASnCl3", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 4.79162697514, "space_group": "Pnma", "gllbsc_dir_gap": 4.94320566184}


unique_id: 77c49630b136aa62824011bc5279e99e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.714063979726, "project": "organometal", "name": "MASnCl3", "symmetry": "cubic", "gllbsc_ind_gap": 2.22647582524, "space_group": "Pm-3m", "gllbsc_dir_gap": 2.226475825236}


unique_id: d33c8db5dd791922f27556789548dc42
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.01824093805, "project": "organometal", "name": "FAPbBrCl2", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 2.60093282403, "space_group": "Pbnm", "gllbsc_dir_gap": 2.6089118708}


unique_id: 5b2ca7822d508453e073bd6ef768769d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.81085276216, "project": "organometal", "name": "MAPbIBr2", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.7683355133700003, "space_group": "Pbnm", "gllbsc_dir_gap": 1.8270250193300002}


unique_id: d2ecfdddcf277521af69d435957e7274
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.360207142661, "project": "organometal", "name": "FASnIBr2", "symmetry": "cubic", "gllbsc_ind_gap": 0.8804501704300001, "space_group": "Pm-3m", "gllbsc_dir_gap": 0.8804501704269998}


unique_id: 5ee1f778f03842c18ed6b414a9bf060a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.656792570456, "project": "organometal", "name": "FASnIBr2", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.36488202397, "space_group": "Pbnm", "gllbsc_dir_gap": 1.364882023976}


unique_id: 20c9bfd00f9fe0b1b07703e12f8a8c02
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.14223558233, "project": "organometal", "name": "FASnIBr2", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.5054038675, "space_group": "Pnma", "gllbsc_dir_gap": 3.7949464420500005}


unique_id: 595565e876109402fc11208be3a0a88f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.30276310292, "project": "organometal", "name": "FAPbIBr2", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.30896822836, "space_group": "Pnma", "gllbsc_dir_gap": 3.3981052887499996}


unique_id: 9debb896d7a9653084816250ab7ec246
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.711683191358, "project": "organometal", "name": "FAPbIBr2", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.4385154143500003, "space_group": "Pbnm", "gllbsc_dir_gap": 1.443836573678}


unique_id: a83c006c0df5337fd528d3979441be5b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.814515743813, "project": "organometal", "name": "FAPbIBr2", "symmetry": "cubic", "gllbsc_ind_gap": 1.7129321929599999, "space_group": "Pm-3m", "gllbsc_dir_gap": 1.7129321929630001}


unique_id: e5e369f5ce29fe32a6395809a6f26e6d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.581381781406, "project": "organometal", "name": "MASnBr2Cl", "symmetry": "cubic", "gllbsc_ind_gap": 1.6949467571700003, "space_group": "Pm-3m", "gllbsc_dir_gap": 1.694946757166}


unique_id: 84285c78de080979471ffc7e97f55087
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.959613877639, "project": "organometal", "name": "MASnBr2Cl", "symmetry": "tetragonal", "gllbsc_ind_gap": 2.93011457973, "space_group": "P4/mbm", "gllbsc_dir_gap": 2.9342044342689997}


unique_id: 6a41c73857f2bb7ebc42d7b1c2d0edc0
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.23509603439, "project": "organometal", "name": "CsSnICl2", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.7427319276300004, "space_group": "Pnma", "gllbsc_dir_gap": 3.8621368996900003}


unique_id: 15a13904bbf93f5c1d02ae05c92a91f1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.395552879622, "project": "organometal", "name": "CsSnICl2", "symmetry": "cubic", "gllbsc_ind_gap": 1.0207444693999999, "space_group": "Pm-3m", "gllbsc_dir_gap": 1.1678062502120001}


unique_id: a67c16c34e21c5c0fb1b0161082377fb
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.673498869259, "project": "organometal", "name": "CsSnICl2", "symmetry": "tetragonal", "gllbsc_ind_gap": 0.9814201356400001, "space_group": "P4/mbm", "gllbsc_dir_gap": 0.9814201356370003}


unique_id: c852a3cc2cfa579856904d34fe7bbfe8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.643559766478, "project": "organometal", "name": "CsSnICl2", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.0715949245499998, "space_group": "Pbnm", "gllbsc_dir_gap": 1.0715949245490002}


unique_id: f4ec59078acf86902ed769ac8f174b4c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.119747849, "project": "organometal", "name": "FAPbBr2Cl", "symmetry": "tetragonal", "gllbsc_ind_gap": 2.83648441389, "space_group": "P4/mbm", "gllbsc_dir_gap": 2.87897800468}


unique_id: 478915d55f1c201988e5fa5fd5996fd5
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.40099905516, "project": "organometal", "name": "FAPbBr2Cl", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.69512554469, "space_group": "Pnma", "gllbsc_dir_gap": 3.9615679066300005}


unique_id: eb1cbdbfec2f688f21480d7b9d400181
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.968183392789, "project": "organometal", "name": "FAPbBr2Cl", "symmetry": "cubic", "gllbsc_ind_gap": 2.33698597005, "space_group": "Pm-3m", "gllbsc_dir_gap": 2.336985970059}


unique_id: dd797b385dbd8600175401ad70be758f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.898327755396, "project": "organometal", "name": "FAPbBr2Cl", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 2.1568481518600002, "space_group": "Pbnm", "gllbsc_dir_gap": 2.173432793756}


unique_id: 4ff62331f67eb66096d4febf3f63dd6e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.44942274814, "project": "organometal", "name": "MAPbIBrCl", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.6935914961900003, "space_group": "Pnma", "gllbsc_dir_gap": 3.6948988022399996}


unique_id: a644508204929f03a4deaa2fcb485bc4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.13205522484, "project": "organometal", "name": "MAPbIBrCl", "symmetry": "tetragonal", "gllbsc_ind_gap": 2.55024684799, "space_group": "P4/mbm", "gllbsc_dir_gap": 2.5750473417}


unique_id: f06788796a45edf0d750f7772874c895
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.945574390988, "project": "organometal", "name": "MAPbIBrCl", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 2.24897392399, "space_group": "Pbnm", "gllbsc_dir_gap": 2.255280733428}


unique_id: fe0144ea1632a5b611c89aaec83f58f4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.308301501182, "project": "organometal", "name": "CsSnBr2Cl", "symmetry": "cubic", "gllbsc_ind_gap": 0.552170506516, "space_group": "Pm-3m", "gllbsc_dir_gap": 0.552170506516}


unique_id: 288f0a7f719f759092181089860aedc1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.808010897145, "project": "organometal", "name": "CsPbIBr2", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.7228768086000001, "space_group": "Pbnm", "gllbsc_dir_gap": 1.7228768085950001}


unique_id: bc09252138064d139b0db8aa9156a095
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.33172554697, "project": "organometal", "name": "CsPbIBr2", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.38785920314, "space_group": "Pnma", "gllbsc_dir_gap": 3.4299730487199995}


unique_id: d6cffb68b30bc75ad906b21d95d7f8ed
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.871431737659, "project": "organometal", "name": "CsPbIBr2", "symmetry": "cubic", "gllbsc_ind_gap": 1.90862572273, "space_group": "Pm-3m", "gllbsc_dir_gap": 2.077225399929}


unique_id: 7b09bdaa245d976125f4c7ea03184fd8
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.406623046777, "project": "organometal", "name": "MASnBr3", "symmetry": "cubic", "gllbsc_ind_gap": 1.10041583156, "space_group": "Pm-3m", "gllbsc_dir_gap": 1.100415831557}


unique_id: 592e6d1477d320b3ed2c66da8c1adcdd
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.621524280709, "project": "organometal", "name": "FASnIBrCl", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.57845129767, "space_group": "Pbnm", "gllbsc_dir_gap": 1.5837657968490002}


unique_id: 3b71069ffebe54e1662b63d4b240694a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.19712008255, "project": "organometal", "name": "FASnIBrCl", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.63042445409, "space_group": "Pnma", "gllbsc_dir_gap": 3.9337248656600003}


unique_id: 7097bec37ea894c186e919481c6671b3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.361242157664, "project": "organometal", "name": "FASnIBrCl", "symmetry": "cubic", "gllbsc_ind_gap": 0.89057232059, "space_group": "Pm-3m", "gllbsc_dir_gap": 0.8905723205879998}


unique_id: f02c2aefca864edc12a4a84751604c71
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.637589914675, "project": "organometal", "name": "FASnIBrCl", "symmetry": "tetragonal", "gllbsc_ind_gap": 1.8452734346900002, "space_group": "P4/mbm", "gllbsc_dir_gap": 1.8484597705550003}


unique_id: 6a0822c8425d06d5701d39506750415b
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.61616360361, "project": "organometal", "name": "MAPbBrCl2", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 4.33354427904, "space_group": "Pnma", "gllbsc_dir_gap": 4.42762132769}


unique_id: 51167b2bc94168ad5e85cbb411e7f194
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.35294613057, "project": "organometal", "name": "MAPbBrCl2", "symmetry": "tetragonal", "gllbsc_ind_gap": 3.60513324991, "space_group": "P4/mbm", "gllbsc_dir_gap": 3.65256621877}


unique_id: da598e8ec2b31ff8b080e0177e1491e2
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.13377368021, "project": "organometal", "name": "MAPbBrCl2", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 2.9883613076500004, "space_group": "Pbnm", "gllbsc_dir_gap": 2.99155884962}


unique_id: 81d39d7079d0539e7156937147b97f33
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.933440817472, "project": "organometal", "name": "MAPbBrCl2", "symmetry": "cubic", "gllbsc_ind_gap": 2.2941646222000003, "space_group": "Pm-3m", "gllbsc_dir_gap": 2.294164622202}


unique_id: 75f464c1397a230b2283e70b0030a401
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.795187023885, "project": "organometal", "name": "MAPbI2Cl", "symmetry": "cubic", "gllbsc_ind_gap": 1.6243958681700001, "space_group": "Pm-3m", "gllbsc_dir_gap": 1.6243958681750001}


unique_id: ae202f25fc401331cae0209635584e42
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.621816880489, "project": "organometal", "name": "CsSnBrCl2", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.24167311183, "space_group": "Pbnm", "gllbsc_dir_gap": 1.2416731118270001}


unique_id: e855e0008772658c5d55f3e9edc1702c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.652147916369, "project": "organometal", "name": "CsSnBrCl2", "symmetry": "tetragonal", "gllbsc_ind_gap": 1.1988081998300002, "space_group": "P4/mbm", "gllbsc_dir_gap": 1.198808199828}


unique_id: 30c548545f6a45d6db4081734e5350d7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.345998383446, "project": "organometal", "name": "FASnI3", "symmetry": "cubic", "gllbsc_ind_gap": 0.8067210548100001, "space_group": "Pm-3m", "gllbsc_dir_gap": 0.809875450152}


unique_id: 4b692c0fb317a7c122db79f831a29d3d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.734784669526, "project": "organometal", "name": "FASnI3", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 0.7014927887000001, "space_group": "Pbnm", "gllbsc_dir_gap": 0.701492788696}


unique_id: 981e7ec7f873a057d17f991cacfb5db9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.746239472862, "project": "organometal", "name": "FASnICl2", "symmetry": "tetragonal", "gllbsc_ind_gap": 2.2146271028, "space_group": "P4/mbm", "gllbsc_dir_gap": 2.214627102792}


unique_id: 674ebf405808faf9a8a476023fa95e90
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.30167068746, "project": "organometal", "name": "FAPbI2Cl", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.2404800347700005, "space_group": "Pnma", "gllbsc_dir_gap": 3.33606841332}


unique_id: 6ed04e3cbd2090c5515bfb6dac2eaa9e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.629432301905, "project": "organometal", "name": "FAPbI2Cl", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.12280724811, "space_group": "Pbnm", "gllbsc_dir_gap": 1.122807248105}


unique_id: 7b93dbd8f93be0a4cae4976f66e686e4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.08097950455, "project": "organometal", "name": "CsSnIBrCl", "symmetry": "tetragonal", "gllbsc_ind_gap": 1.36603584753, "space_group": "P4/mbm", "gllbsc_dir_gap": 1.366035847533}


unique_id: e04bb1bcdf401788b4b116e476f28da3
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.307040971703, "project": "organometal", "name": "CsSnIBrCl", "symmetry": "cubic", "gllbsc_ind_gap": 0.7091833453699999, "space_group": "Pm-3m", "gllbsc_dir_gap": 0.8237631003139998}


unique_id: eaff21b646042987427af49281b5cfae
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.34671438259, "project": "organometal", "name": "CsSnIBrCl", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 4.02957981866, "space_group": "Pnma", "gllbsc_dir_gap": 4.09772622}


unique_id: fb920c0f8222e1f411177ce039feb1c9
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.785722033494, "project": "organometal", "name": "CsPbIBrCl", "symmetry": "tetragonal", "gllbsc_ind_gap": 1.66394916402, "space_group": "P4/mbm", "gllbsc_dir_gap": 1.6639491640239998}


unique_id: 736c3bb5035e1b4df2a57c8f4f8c542f
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.41423111765, "project": "organometal", "name": "CsPbBr3", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.7180514818200003, "space_group": "Pnma", "gllbsc_dir_gap": 3.8223835427900004}


unique_id: 9b2f2178e7a71eb3ec929438e949411d
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.936087566108, "project": "organometal", "name": "CsPbBr3", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 2.23014916026, "space_group": "Pbnm", "gllbsc_dir_gap": 2.230149160258}


unique_id: bcf5846c14934391f73d0a22f8400127
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.30610490099, "project": "organometal", "name": "CsPbI2Br", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.20455995575, "space_group": "Pnma", "gllbsc_dir_gap": 3.20455995575}


unique_id: 2e58ffe7d093025f2e6fc610a4bafb5c
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.516946646234, "project": "organometal", "name": "MASnIBrCl", "symmetry": "cubic", "gllbsc_ind_gap": 1.4208439671400002, "space_group": "Pm-3m", "gllbsc_dir_gap": 1.420843967144}


unique_id: 5f0a50dc521f299bff51bdb24020e791
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.523631949365, "project": "organometal", "name": "MASnIBrCl", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.4744117071599998, "space_group": "Pbnm", "gllbsc_dir_gap": 1.4744117071650003}


unique_id: a58ac1eaabf2e59bc2ed8866885edcaa
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.08968652287, "project": "organometal", "name": "MASnIBrCl", "symmetry": "tetragonal", "gllbsc_ind_gap": 2.36860577428, "space_group": "P4/mbm", "gllbsc_dir_gap": 2.4048692580199997}


unique_id: 8432e3672fb4f58d3a32cc49bf154d40
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.798063738206, "project": "organometal", "name": "FASnBrCl2", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 2.47474007768, "space_group": "Pbnm", "gllbsc_dir_gap": 2.474740077676}


unique_id: 63cf0251adb6045163cecb9fa309b675
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.781953948061, "project": "organometal", "name": "FASnBr2Cl", "symmetry": "cubic", "gllbsc_ind_gap": 2.38351314632, "space_group": "Pm-3m", "gllbsc_dir_gap": 2.3835131463210004}


unique_id: b1dae20680eb269ef6d46482f45c0950
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.929804131231, "project": "organometal", "name": "FASnBr2Cl", "symmetry": "tetragonal", "gllbsc_ind_gap": 2.85109193188, "space_group": "P4/mbm", "gllbsc_dir_gap": 2.851091931881}


unique_id: 4f8eadfdd0b3b80c197191c0a05f8032
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.61515572521, "project": "organometal", "name": "FASnBr2Cl", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.82556608764, "space_group": "Pbnm", "gllbsc_dir_gap": 1.82556608764}


unique_id: 435feb7d05eed82fc55237e08b5d2b84
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.30895689204, "project": "organometal", "name": "FASnBr2Cl", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 4.0457738327, "space_group": "Pnma", "gllbsc_dir_gap": 4.4466772616800005}


unique_id: dd001e3088415047d1125e0b544825d1
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.303687330486, "project": "organometal", "name": "MASnI2Br", "symmetry": "cubic", "gllbsc_ind_gap": 0.555306756907, "space_group": "Pm-3m", "gllbsc_dir_gap": 0.5553067569069999}


unique_id: 4dcb9edf87cd0cb8b3732661f30e5bc6
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.588451402687, "project": "organometal", "name": "MASnICl2", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.69325549102, "space_group": "Pbnm", "gllbsc_dir_gap": 1.6932554910170001}


unique_id: 4600aff52022d5ab7c22ac56b703d671
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.46663217096, "project": "organometal", "name": "MASnICl2", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 4.36138940807, "space_group": "Pnma", "gllbsc_dir_gap": 4.45572377803}


unique_id: 2ba0496b7054a4ef3b81b3383438f015
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.407468700714, "project": "organometal", "name": "MASnI2Cl", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.05373789134, "space_group": "Pbnm", "gllbsc_dir_gap": 1.125188208134}


unique_id: 2bbe0b7c2b12b63f91d9c3bf76e9c9dd
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.694402115746, "project": "organometal", "name": "CsPbI2Cl", "symmetry": "cubic", "gllbsc_ind_gap": 1.30600900079, "space_group": "Pm-3m", "gllbsc_dir_gap": 1.3060090007860001}


unique_id: ad37f5489c8d91cbf2fef5cdd0416da4
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.32445321174, "project": "organometal", "name": "MAPbI2Br", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.2109073261600005, "space_group": "Pnma", "gllbsc_dir_gap": 3.2109073261600005}


unique_id: e38344335f35c4744523c6867dce77d7
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.45321254404, "project": "organometal", "name": "MAPbICl2", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 3.8112922592700005, "space_group": "Pnma", "gllbsc_dir_gap": 3.81165192423}


unique_id: 5fa4eed5c28795c0e2e03ba03468455a
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.832164814209, "project": "organometal", "name": "FAPbIBrCl", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.8833084417600001, "space_group": "Pbnm", "gllbsc_dir_gap": 1.8994733273589999}


unique_id: 8f915f116351549a884dc0d7480776ae
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 1.15480447877, "project": "organometal", "name": "FAPbI2Br", "symmetry": "orthorhombic_2", "gllbsc_ind_gap": 2.76934070169, "space_group": "Pnma", "gllbsc_dir_gap": 3.03721200215}


unique_id: 4b0136b052b63e463a18d4d6383c9d4e
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.629084239933, "project": "organometal", "name": "FAPbI2Br", "symmetry": "orthorhombic_1", "gllbsc_ind_gap": 1.1192262470100003, "space_group": "Pbnm", "gllbsc_dir_gap": 1.119226247013}


unique_id: 1c0f295551724e3396836cad22c58981
username: ivca
calculator: gpaw
calculator_parameters: {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL"}
key_value_pairs:
  {"gllbsc_disc": 0.803699118894, "project": "organometal", "name": "FAPbI2Br", "symmetry": "cubic", "gllbsc_ind_gap": 1.60172500535, "space_group": "Pm-3m", "gllbsc_dir_gap": 1.601725005354}


unique_id: 87795ffbcf6bb218506709f41e46590f
username: ivca
calculator: gpaw
key_value_pairs: {"subproject": "references", "element": "Br"}
calculator_parameters:
  {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL", "kpts": [4.095716904047593, 2.0404602870315487, 2.2107422782846786], "h": 0.18, "maxiter": 400, "occupations": {"width": 0.05, "name": "fermi-dirac"}}


unique_id: ca7bd72e4b7615c9f957f44de6f9b4c3
username: ivca
calculator: gpaw
key_value_pairs: {"subproject": "references", "element": "I"}
calculator_parameters:
  {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL", "kpts": [4.344678490174783, 4.375960112666494, 2.034075125511614], "h": 0.18, "maxiter": 400, "occupations": {"width": 0.05, "name": "fermi-dirac"}}


unique_id: e81f0b3cd974ed52235f71b125933455
username: ivca
calculator: gpaw
key_value_pairs: {"subproject": "references", "element": "Cl"}
calculator_parameters:
  {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL", "kpts": [1, 1, 1], "h": 0.18, "maxiter": 400, "occupations": {"width": 0.05, "name": "fermi-dirac"}}


unique_id: a93a28e1a9bce14093b5337ad2c6b7e2
username: ivca
calculator: gpaw
key_value_pairs: {"subproject": "references", "element": "Pb"}
calculator_parameters:
  {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL", "kpts": [5.595123241345759, 6.4606918223353205, 6.8525984942968465], "h": 0.18, "maxiter": 400, "occupations": {"width": 0.05, "name": "fermi-dirac"}}


unique_id: ea31328bc85a9695b1078cb01025878b
username: ivca
calculator: gpaw
key_value_pairs: {"subproject": "references", "element": "Sn"}
calculator_parameters:
  {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL", "kpts": [4.255662752957765, 4.914016072496027, 5.212101118259842], "h": 0.18, "maxiter": 400, "occupations": {"width": 0.05, "name": "fermi-dirac"}}


unique_id: 10728db3aae0011dcf38874e14d90f82
username: ivca
calculator: gpaw
key_value_pairs: {"subproject": "references", "element": "Cs"}
calculator_parameters:
  {"xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL", "kpts": [3.756607894417199, 3.9844843742456972, 4.600886256137736], "h": 0.18, "maxiter": 400, "occupations": {"width": 0.05, "name": "fermi-dirac"}}


unique_id: 31fc4cdac52a64fbb85c6a6cd9cb8a54
username: ivca
calculator: gpaw
key_value_pairs: {"subproject": "references", "element": "MA"}
calculator_parameters:
  {"kpts": [1, 1, 1], "occupations": {"width": 0.09999996460618858, "name": "fermi-dirac"}, "xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL", "mixer": {"beta": 0.05, "nmaxold": 5, "method": "separate", "weight": 50.0, "backend": "pulay"}, "poissonsolver": {"name": "fd", "nn": 3}, "lmax": 2, "nbands": 14, "stencils": [3, 3], "convergence": {"density": 0.0001, "bands": "occupied", "energy": 0.0004999998230309429, "forces": Infinity, "eigenstates": 4e-08}, "h": 0.14999998669356782, "setups": {"default": "paw"}, "spinpol": false}


unique_id: 9ae8744daebbe2b3c23626fbdb7e8264
username: ivca
calculator: gpaw
key_value_pairs: {"subproject": "references", "element": "FA"}
calculator_parameters:
  {"kpts": [1, 1, 1], "occupations": {"width": 0.1, "name": "fermi-dirac"}, "xc": "GGA_X_PBE_SOL+GGA_C_PBE_SOL", "eigensolver": "cg", "maxiter": 250, "mixer": {"beta": 0.05, "nmaxold": 5, "method": "separate", "weight": 50.0, "backend": "pulay"}, "h": 0.17}


