# systems

unique_id: 2ae38a9939b5ca3d9fe4e82d4328fb58
username: egarijo
constraints: [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 3]}}]
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"optimizer": "GPMin", "name": "NO2_hollow_8", "error": "RuntimeError: A descent model could not be built", "n": Infinity, "dataset": "MS5"}


unique_id: a8976fc266f7f8b279da05f17882f3af
username: egarijo
constraints: [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 3]}}]
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"optimizer": "GPMin_update", "name": "CAg8O-7", "error": "RuntimeError: Did not converge!", "n": Infinity, "dataset": "GPAW/ASE"}


unique_id: 4a78ef25bbd1e2e762d03658d1a0f0de
username: egarijo
constraints: [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 3, 4, 5, 6, 7, 8]}}]
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"optimizer": "BFGSLineSearch", "name": "butanethiolate", "error": "", "n": 206, "dataset": "C3-S4"}


unique_id: 4f94ebfa04361a989a1187f9f8f7cefe
username: egarijo
constraints: [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 3, 4, 5, 6, 7, 8]}}]
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"optimizer": "BFGSLineSearch", "name": "butanethiolate_0", "error": "", "n": 186, "dataset": "C3-S4"}


unique_id: f90fab5d4d44360a9d6a737b7e74a3f6
username: egarijo
constraints: [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 3, 4, 5, 6, 7, 8]}}]
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"optimizer": "BFGSLineSearch", "name": "butanethiolate_1", "error": "", "n": 195, "dataset": "C3-S4"}


unique_id: 5299b2f80b5075256ccb4cd1c32fd57f
username: egarijo
constraints: [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 3, 4, 5, 6, 7, 8]}}]
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"optimizer": "BFGSLineSearch", "name": "butanethiolate_2", "error": "", "n": 148, "dataset": "C3-S4"}


unique_id: e194e486d73b90f07697b8b8f5c3c5c4
username: egarijo
constraints: [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 3, 4, 5, 6, 7, 8]}}]
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"optimizer": "BFGSLineSearch", "name": "butanethiolate_3", "error": "", "n": 211, "dataset": "C3-S4"}


unique_id: 39c19d97f86c6f5dc00453b5832c6125
username: egarijo
constraints: [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 3, 4, 5, 6, 7, 8]}}]
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"optimizer": "BFGSLineSearch", "name": "butanethiolate_4", "error": "", "n": 200, "dataset": "C3-S4"}


unique_id: 3d2f0d3a1994152a58f7575d18a5fb6b
username: egarijo
constraints: [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 3, 4, 5, 6, 7, 8]}}]
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"optimizer": "BFGSLineSearch", "name": "butanethiolate_5", "error": "", "n": 201, "dataset": "C3-S4"}


unique_id: b372b3a4d26d02fe289d5f187c2abcac
username: egarijo
constraints: [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 3, 4, 5, 6, 7, 8]}}]
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"optimizer": "BFGSLineSearch", "name": "butanethiolate_6", "error": "", "n": 203, "dataset": "C3-S4"}


unique_id: c6d07c72941f66232d964b73ff97e9a8
username: egarijo
constraints: [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 3, 4, 5, 6, 7, 8]}}]
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"optimizer": "BFGSLineSearch", "name": "butanethiolate_7", "error": "", "n": 199, "dataset": "C3-S4"}


unique_id: db5f4655c84f514f1aa7381a8a341b03
username: egarijo
constraints: [{"name": "FixAtoms", "kwargs": {"indices": [0, 1, 2, 3, 4, 5, 6, 7, 8]}}]
calculator: gpaw
calculator_parameters: {}
key_value_pairs:
  {"optimizer": "BFGSLineSearch", "name": "butanethiolate_8", "error": "", "n": 175, "dataset": "C3-S4"}


