# systems

unique_id: 341faa34c81ea66bd56d77aac9559552
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -4.101561681461744, "u": false, "uid": "ScF3", "name": "ScF3", "niggli": false, "oqmd_bandgap": 6.597, "oqmd_energy_pa": -6.944618625, "oqmd_stability": -3.17139674957, "oqmd_delta_e": -4.2698336106, "oqmd_id": 642419}

data:
  {"hull": {"formulas": ["ScF3", "F4", "Sc2"], "x": [0.75, 1.0, 0.0], "y": [-4.101561681461744, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 2], [0, 1]], "symbols": ["Sc", "F"]}}


unique_id: bd42277975974a74ea4609759f4fe838
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -4.064891377869679, "u": false, "uid": "Y3F9", "name": "Y3F9", "niggli": false, "oqmd_bandgap": 6.233, "oqmd_energy_pa": -6.90691298167, "oqmd_stability": -3.07444680373, "oqmd_delta_e": -4.19811460477, "oqmd_id": 3274}

data:
  {"hull": {"formulas": ["Y3F9", "F4", "Y2"], "x": [0.75, 1.0, 0.0], "y": [-4.064891377869679, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 2], [0, 1]], "symbols": ["Y", "F"]}}


unique_id: 79a2a5dec9f2f056c526d20c2df8a46f
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -4.04804620228494, "u": false, "uid": "SrF2", "name": "SrF2", "niggli": false, "oqmd_bandgap": 7.434, "oqmd_energy_pa": -5.73824178333, "oqmd_stability": -1.38404529647, "oqmd_delta_e": -4.20598765609, "oqmd_id": 7257}

data:
  {"hull": {"formulas": ["SrF2", "F4", "Sr"], "x": [0.6666666666666666, 1.0, 0.0], "y": [-4.04804620228494, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 2], [0, 1]], "symbols": ["Sr", "F"]}}


unique_id: 5150452f88498fb5adeb117ed069ffe9
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -4.046793694803498, "u": false, "uid": "CaF2", "name": "CaF2", "niggli": false, "oqmd_bandgap": 7.8, "oqmd_energy_pa": -5.84996186333, "oqmd_stability": -0.945718540564, "oqmd_delta_e": -4.21940666942, "oqmd_id": 5585}

data:
  {"hull": {"formulas": ["CaF2", "Ca", "F4"], "x": [0.6666666666666666, 0.0, 1.0], "y": [-4.046793694803498, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 1], [0, 2]], "symbols": ["Ca", "F"]}}


unique_id: d5fbe59e5ebe69b2e272c0c6b1f4c3b7
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -4.015142511308074, "u": false, "uid": "BaF2", "name": "BaF2", "niggli": false, "oqmd_bandgap": 7.047, "oqmd_energy_pa": -5.74684481667, "oqmd_stability": -0.846387423141, "oqmd_delta_e": -4.13438626275, "oqmd_id": 647336}

data:
  {"hull": {"formulas": ["BaF2", "Ba", "F4"], "x": [0.6666666666666666, 0.0, 1.0], "y": [-4.015142511308074, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 1], [0, 2]], "symbols": ["Ba", "F"]}}


unique_id: fb85a60492d395caba5b5fee7e7e0689
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -3.8681856706532485, "u": false, "uid": "Zr8F32", "name": "Zr8F32", "niggli": false, "oqmd_bandgap": 5.273, "oqmd_energy_pa": -6.83593549425, "oqmd_stability": -1.42547256408, "oqmd_delta_e": -3.96096159155, "oqmd_id": 6503}

data:
  {"hull": {"formulas": ["Zr8F32", "F4", "Zr2"], "x": [0.8, 1.0, 0.0], "y": [-3.8681856706532485, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 2], [0, 1]], "symbols": ["Zr", "F"]}}


unique_id: 83b1866886a2246b011569d4ec2ae04d
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -3.846864279242318, "u": false, "uid": "Hf6F24", "name": "Hf6F24", "niggli": false, "oqmd_bandgap": 5.792, "oqmd_energy_pa": -7.252459572, "oqmd_stability": -1.61580595183, "oqmd_delta_e": -4.0958463823, "oqmd_id": 12094}

data:
  {"hull": {"formulas": ["Hf6F24", "F4", "Hf2"], "x": [0.8, 1.0, 0.0], "y": [-3.846864279242318, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 2], [0, 1]], "symbols": ["Hf", "F"]}}


unique_id: 5d581d7719599101dad58acb994305b9
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -3.6628632755091113, "u": false, "uid": "Y16O24", "name": "Y16O24", "niggli": false, "oqmd_bandgap": 4.37, "oqmd_energy_pa": -9.107939893, "oqmd_stability": -0.837385306974, "oqmd_delta_e": -3.80819436053, "oqmd_id": 3427}

data:
  {"hull": {"formulas": ["Y16O24", "O8", "Y2"], "x": [0.6, 1.0, 0.0], "y": [-3.6628632755091113, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 2], [0, 1]], "symbols": ["Y", "O"]}}


unique_id: 799c481da16cad34322717c127889558
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -3.6295704536018225, "u": false, "uid": "Mg2F4", "name": "Mg2F4", "niggli": false, "oqmd_bandgap": 7.644, "oqmd_energy_pa": -5.30862854667, "oqmd_stability": -1.60672630248, "oqmd_delta_e": -3.82317370248, "oqmd_id": 1697}

data:
  {"hull": {"formulas": ["Mg2F4", "F4", "Mg12"], "x": [0.6666666666666666, 1.0, 0.0], "y": [-3.6295704536018225, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 2], [0, 1]], "symbols": ["Mg", "F"]}}


unique_id: 13c43d68e8b441d61bcc0e0ef60f145b
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -3.6158484955593524, "u": false, "uid": "Sc16O24", "name": "Sc16O24", "niggli": false, "oqmd_bandgap": 4.124, "oqmd_energy_pa": -9.052713875, "oqmd_stability": -0.854949678117, "oqmd_delta_e": -3.80738972253, "oqmd_id": 4555}

data:
  {"hull": {"formulas": ["Sc16O24", "O8", "Sc2"], "x": [0.6, 1.0, 0.0], "y": [-3.6158484955593524, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 2], [0, 1]], "symbols": ["Sc", "O"]}}


unique_id: f98b3293139b1903e023ad9dc3b86fc3
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -3.5987012117664308, "u": false, "uid": "Al10F30", "name": "Al10F30", "niggli": false, "oqmd_bandgap": 8.273, "oqmd_energy_pa": -5.855239815, "oqmd_stability": -2.33079899155, "oqmd_delta_e": -3.82611173185, "oqmd_id": 14408}

data:
  {"hull": {"formulas": ["Al10F30", "Al", "F4"], "x": [0.75, 0.0, 1.0], "y": [-3.5987012117664308, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 1], [0, 2]], "symbols": ["Al", "F"]}}


unique_id: 3cddd12de958ea7b16a8b3bbfa79b4f3
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -3.5169867979803526, "u": false, "uid": "Hf4O8", "name": "Hf4O8", "niggli": false, "oqmd_bandgap": 4.29, "oqmd_energy_pa": -10.1731355467, "oqmd_stability": -0.783867741416, "oqmd_delta_e": -3.83914897559, "oqmd_id": 5299}

data:
  {"hull": {"formulas": ["Hf4O8", "Hf2", "O8"], "x": [0.6666666666666666, 0.0, 1.0], "y": [-3.5169867979803526, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 1], [0, 2]], "symbols": ["Hf", "O"]}}


unique_id: 5cf4d9a3a247971f31dd02e119952bc8
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -3.515309549638829, "u": false, "uid": "Zr4O8", "name": "Zr4O8", "niggli": false, "oqmd_bandgap": 3.843, "oqmd_energy_pa": -9.49757019, "oqmd_stability": -0.737880215257, "oqmd_delta_e": -3.63298243059, "oqmd_id": 3278}

data:
  {"hull": {"formulas": ["Zr4O8", "Zr6O2", "O8", "Zr2"], "x": [0.6666666666666666, 0.25, 1.0, 0.0], "y": [-3.515309549638829, -1.4315455338837424, 0.0, 0.0], "onhull": [true, true, true, true], "lines": [[0, 2], [1, 3], [1, 0]], "symbols": ["Zr", "O"]}}


unique_id: 9a0a2d54b1212edddccd9904e4f8c9b7
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -3.4530373035495776, "u": false, "uid": "TiF3", "name": "TiF3", "niggli": false, "emag": 0.022166709238441662, "oqmd_bandgap": 0.0, "oqmd_energy_pa": -6.62558383, "oqmd_stability": -1.35984096375, "oqmd_delta_e": -3.60837616529, "oqmd_id": 5608}

data:
  {"hull": {"formulas": ["TiF3", "F4", "Ti3"], "x": [0.75, 1.0, 0.0], "y": [-3.4530373035495776, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 2], [0, 1]], "symbols": ["Ti", "F"]}}


unique_id: 11a6f050ea961319e8c31054f0ec0688
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -3.288010681359735, "u": false, "uid": "Ta4F20", "name": "Ta4F20", "niggli": false, "oqmd_bandgap": 5.616, "oqmd_energy_pa": -6.65888116, "oqmd_stability": -1.65208962352, "oqmd_delta_e": -3.46935602261, "oqmd_id": 21749}

data:
  {"hull": {"formulas": ["Ta4F20", "F4", "Ta"], "x": [0.8333333333333334, 1.0, 0.0], "y": [-3.288010681359735, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 2], [0, 1]], "symbols": ["Ta", "F"]}}


unique_id: bf7bb5749ff9d43dc9902b50430091e5
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -3.2762017951822973, "u": false, "uid": "Be3F6", "name": "Be3F6", "niggli": false, "oqmd_bandgap": 9.419, "oqmd_energy_pa": -5.70122617667, "oqmd_stability": -1.71640860237, "oqmd_delta_e": -3.47820709942, "oqmd_id": 642531}

data:
  {"hull": {"formulas": ["Be3F6", "Be2", "F4"], "x": [0.6666666666666666, 0.0, 1.0], "y": [-3.2762017951822973, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 1], [0, 2]], "symbols": ["Be", "F"]}}


unique_id: e0c1df8157577b966640dbad80539e54
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -3.2213755443383714, "u": false, "uid": "Nb4F20", "name": "Nb4F20", "niggli": false, "oqmd_bandgap": 4.647, "oqmd_energy_pa": -6.15153820667, "oqmd_stability": -0.650017601336, "oqmd_delta_e": -3.25511595428, "oqmd_id": 5080}

data:
  {"hull": {"formulas": ["Nb4F20", "Nb6F15", "F4", "Nb"], "x": [0.8333333333333334, 0.7142857142857143, 1.0, 0.0], "y": [-3.2213755443383714, -2.911872907057532, 0.0, 0.0], "onhull": [true, true, true, true], "lines": [[0, 2], [1, 3], [1, 0]], "symbols": ["Nb", "F"]}}


unique_id: 7dbdcdeeb94231cc2e3dd70fcebf24c0
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -3.1165757785003962, "u": false, "uid": "F4Si", "name": "F4Si", "niggli": false, "oqmd_bandgap": 7.887, "oqmd_energy_pa": -5.595529938, "oqmd_stability": -1.66851836583, "oqmd_delta_e": -3.3450119983, "oqmd_id": 2853}

data:
  {"hull": {"formulas": ["F4Si", "F4", "Si2"], "x": [0.2, 0.0, 1.0], "y": [-3.1165757785003962, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 1], [0, 2]], "symbols": ["F", "Si"]}}


unique_id: 8741d66e21b3a78a8bea812260b5c57a
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -3.0806830456685126, "u": false, "uid": "Ti2O4", "name": "Ti2O4", "niggli": false, "oqmd_bandgap": 1.965, "oqmd_energy_pa": -8.82419046333, "oqmd_stability": -0.182025568261, "oqmd_delta_e": -3.24264089185, "oqmd_id": 2575}

data:
  {"hull": {"formulas": ["Ti4O6", "Ti2O4", "Ti12O2", "Ti12O4", "Ti5O5", "Ti6O10", "Ti2O", "O8", "Ti3"], "x": [0.6, 0.6666666666666666, 0.14285714285714285, 0.25, 0.5, 0.625, 0.3333333333333333, 1.0, 0.0], "y": [-2.9204810073127305, -3.0806830456685126, -0.8232304749736353, -1.4046170734827026, -2.5348003732556057, -2.98314766610118, -1.8125084458846459, 0.0, 0.0], "onhull": [true, true, true, true, true, true, true, true, true], "lines": [[1, 7], [2, 8], [3, 6], [3, 2], [5, 1], [5, 0], [4, 6], [4, 0]], "symbols": ["Ti", "O"]}}


unique_id: 3b1a9840a86c6a1a7da69310462b0058
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -3.02636734388482, "u": false, "uid": "LiF", "name": "LiF", "niggli": false, "oqmd_bandgap": 9.633, "oqmd_energy_pa": -4.82664204, "oqmd_stability": -1.17486011953, "oqmd_delta_e": -3.14987675957, "oqmd_id": 7484}

data:
  {"hull": {"formulas": ["LiF", "F4", "Li3"], "x": [0.5, 1.0, 0.0], "y": [-3.02636734388482, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 2], [0, 1]], "symbols": ["Li", "F"]}}


unique_id: 11cbb9099188614608a073962441adb1
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -2.9945021855815925, "u": false, "uid": "Al4O6", "name": "Al4O6", "niggli": false, "oqmd_bandgap": 6.31, "oqmd_energy_pa": -7.47733909, "oqmd_stability": -0.289809725069, "oqmd_delta_e": -3.26506602753, "oqmd_id": 655890}

data:
  {"hull": {"formulas": ["Al4O6", "Al", "O8"], "x": [0.6, 0.0, 1.0], "y": [-2.9945021855815925, 0.0, 0.0], "onhull": [true, true, true], "lines": [[0, 1], [0, 2]], "symbols": ["Al", "O"]}}


unique_id: eecef9b8928daeffbc02c91b3c69955f
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -2.98314766610118, "u": false, "uid": "Ti6O10", "name": "Ti6O10", "niggli": false, "emag": -2.509984321896752e-05, "oqmd_bandgap": 0.0, "oqmd_energy_pa": -8.88739130375, "oqmd_stability": -0.0053619145635, "oqmd_delta_e": -3.17355996884, "oqmd_id": 66123}

data:
  {"hull": {"formulas": ["Ti4O6", "Ti2O4", "Ti12O2", "Ti12O4", "Ti5O5", "Ti6O10", "Ti2O", "O8", "Ti3"], "x": [0.6, 0.6666666666666666, 0.14285714285714285, 0.25, 0.5, 0.625, 0.3333333333333333, 1.0, 0.0], "y": [-2.9204810073127305, -3.0806830456685126, -0.8232304749736353, -1.4046170734827026, -2.5348003732556057, -2.98314766610118, -1.8125084458846459, 0.0, 0.0], "onhull": [true, true, true, true, true, true, true, true, true], "lines": [[1, 7], [2, 8], [3, 6], [3, 2], [5, 1], [5, 0], [4, 6], [4, 0]], "symbols": ["Ti", "O"]}}


unique_id: 3309bde9505d39bb32bbab132bf6e192
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -2.976954240591452, "u": false, "uid": "CaO", "name": "CaO", "niggli": false, "oqmd_bandgap": 3.687, "oqmd_energy_pa": -6.44422863, "oqmd_stability": 0.001427565, "oqmd_delta_e": -3.19367239794, "oqmd_id": 5181}

data:
  {"hull": {"formulas": ["CaO", "CaO2", "Ca", "O8"], "x": [0.5, 0.6666666666666666, 0.0, 1.0], "y": [-2.976954240591452, -1.9111865517815942, 0.0, 0.0], "onhull": [true, false, true, true], "lines": [[0, 2], [0, 3]], "symbols": ["Ca", "O"]}}


unique_id: c1394d6643834e9233b146124a890e2c
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -2.937046856464646, "u": false, "uid": "V2F6", "name": "V2F6", "niggli": false, "emag": 0.19675586447141313, "oqmd_bandgap": 0.0, "oqmd_energy_pa": -6.42927836, "oqmd_stability": -0.214242362989, "oqmd_delta_e": -3.10134040185, "oqmd_id": 5882}

data:
  {"hull": {"formulas": ["V2F6", "V2F8", "F4", "V"], "x": [0.75, 0.8, 1.0, 0.0], "y": [-2.937046856464646, -2.8337780006660167, 0.0, 0.0], "onhull": [true, true, true, true], "lines": [[0, 3], [1, 2], [1, 0]], "symbols": ["V", "F"]}}


unique_id: 21c9230346cb65f8b6716357b3b1b311
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -2.9204810073127305, "u": false, "uid": "Ti4O6", "name": "Ti4O6", "niggli": false, "oqmd_energy_pa": -8.914744206, "oqmd_stability": 0.000344966, "oqmd_delta_e": -3.12154381304, "oqmd_id": 1933}

data:
  {"hull": {"formulas": ["Ti4O6", "Ti2O4", "Ti12O2", "Ti12O4", "Ti5O5", "Ti6O10", "Ti2O", "O8", "Ti3"], "x": [0.6, 0.6666666666666666, 0.14285714285714285, 0.25, 0.5, 0.625, 0.3333333333333333, 1.0, 0.0], "y": [-2.9204810073127305, -3.0806830456685126, -0.8232304749736353, -1.4046170734827026, -2.5348003732556057, -2.98314766610118, -1.8125084458846459, 0.0, 0.0], "onhull": [true, true, true, true, true, true, true, true, true], "lines": [[1, 7], [2, 8], [3, 6], [3, 2], [5, 1], [5, 0], [4, 6], [4, 0]], "symbols": ["Ti", "O"]}}


unique_id: c327b0ef0ac2f64b3dfc67a1a7d09b8b
username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"ns": 2, "de": -2.911872907057532, "u": false, "uid": "Nb6F15", "name": "Nb6F15", "niggli": false, "emag": 0.0007211913076292019, "oqmd_bandgap": 1.299, "oqmd_energy_pa": -6.89009543762, "oqmd_stability": -0.174288014722, "oqmd_delta_e": -2.96546035557, "oqmd_id": 26164}

data:
  {"hull": {"formulas": ["Nb4F20", "Nb6F15", "F4", "Nb"], "x": [0.8333333333333334, 0.7142857142857143, 1.0, 0.0], "y": [-3.2213755443383714, -2.911872907057532, 0.0, 0.0], "onhull": [true, true, true, true], "lines": [[0, 2], [1, 3], [1, 0]], "symbols": ["Nb", "F"]}}


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[cell repeats an earlier one in this file: 530 characters]


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[cell repeats an earlier one in this file: 363 characters]


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[cell repeats an earlier one in this file: 530 characters]


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[cell repeats an earlier one in this file: 530 characters]


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[cell repeats an earlier one in this file: 348 characters]


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[cell repeats an earlier one in this file: 355 characters]


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[cell repeats an earlier one in this file: 373 characters]


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[cell repeats an earlier one in this file: 344 characters]


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[cell repeats an earlier one in this file: 351 characters]


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[cell repeats an earlier one in this file: 476 characters]


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data:
[cell repeats an earlier one in this file: 476 characters]


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data:
[cell repeats an earlier one in this file: 417 characters]


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data:
[cell repeats an earlier one in this file: 417 characters]


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[cell repeats an earlier one in this file: 367 characters]


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[cell repeats an earlier one in this file: 367 characters]


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[cell repeats an earlier one in this file: 367 characters]


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[cell repeats an earlier one in this file: 473 characters]


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[cell repeats an earlier one in this file: 473 characters]


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[cell repeats an earlier one in this file: 414 characters]


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[cell repeats an earlier one in this file: 371 characters]


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[cell repeats an earlier one in this file: 401 characters]


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[cell repeats an earlier one in this file: 414 characters]


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[cell repeats an earlier one in this file: 473 characters]


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[cell repeats an earlier one in this file: 530 characters]


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[cell repeats an earlier one in this file: 421 characters]


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[cell repeats an earlier one in this file: 489 characters]


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[cell repeats an earlier one in this file: 355 characters]


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[cell repeats an earlier one in this file: 416 characters]


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username: jensj
calculator: gpaw
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key_value_pairs:
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data:
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calculator: gpaw
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key_value_pairs:
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data:
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username: jensj
calculator: gpaw
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key_value_pairs:
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data:
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calculator: gpaw
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data:
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username: jensj
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
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data:
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