{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [8.272144701573627, 8.259887486037089e-30, 0.0, 9.804468722343894e-18, 14.613144705547214, 0.0, 7.584952834041599e-18, -3.186706694905431e-36, 21.71336121]]}, "__ase_objtype__": "cell"}, "ctime": 24.89197687229407, "dipole": {"__ndarray__": [[3], "float64", [-0.002992834167736382, 0.16836145880663442, -1.5897364916246569e-06]]}, "energy": -86.95868481746047, "forces": {"__ndarray__": [[32, 3], "float64", [-0.00343358, 0.00647004, 0.00113629, 0.0033318, 0.00623507, -0.00146866, 0.00337136, 0.00622857, 0.00139273, -0.00348251, 0.00643612, -0.00108057, -0.00348251, 0.00643612, 0.00108057, 0.00337136, 0.00622857, -0.00139273, 0.0033318, 0.00623507, 0.00146866, -0.00343358, 0.00647004, -0.00113629, 9.251e-05, -0.00502142, -0.00784709, 0.00010545, -0.00503124, 0.00784444, 0.00010545, -0.00503124, -0.00784444, 9.251e-05, -0.00502142, 0.00784709, 1.569e-05, 0.00203831, -0.00016446, 1.41e-05, 0.00205917, 4.935e-05, 1.41e-05, 0.00205917, -4.935e-05, 1.569e-05, 0.00203831, 0.00016446, -0.00410399, -0.00724731, 0.00055312, 0.00389389, -0.00775524, -0.0008942, 0.00389715, -0.00777017, 0.0008441, -0.00410727, -0.00725162, -0.000632, -0.00410727, -0.00725162, 0.000632, 0.00389715, -0.00777017, -0.0008441, 0.00389389, -0.00775524, 0.0008942, -0.00410399, -0.00724731, -0.00055312, 0.00014287, -0.00110669, 0.00459039, 0.00025576, -0.00109272, -0.00459458, 0.00025576, -0.00109272, 0.00459458, 0.00014287, -0.00110669, -0.00459039, 4.56e-06, 0.00648755, -2.84e-06, 2.23e-06, 0.00649158, 2.142e-05, 2.23e-06, 0.00649158, -2.142e-05, 4.56e-06, 0.00648755, 2.84e-06]]}, "free_energy": -86.95868482432513, "initial_magmoms": {"__ndarray__": [[32], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[32], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.89197687229407, "numbers": {"__ndarray__": [[32], "int64", [47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 47, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17, 17]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[32, 3], "float64", [0.40663493, 1.18803392, 12.33113799, 7.86558538, 1.18800206, 9.38229574, 3.72950293, 1.18800411, 12.33108153, 4.54272102, 1.18803596, 9.38221953, 4.54272093, 8.49460803, 12.33114124, 3.72950285, 8.49457661, 9.38227968, 7.86558529, 8.49457471, 12.33106568, 0.40663493, 8.49460627, 9.38222344, 2.06803618, 4.61610604, 13.40293722, 6.20408892, 4.61610005, 8.31043073, 6.20408892, 11.92267225, 13.40293048, 2.06803618, 11.92267839, 8.31042399, 0.0, 13.27658991, 10.8566806, 4.13607235, 13.27658699, 10.8566806, 4.13607235, 5.97001449, 10.8566806, 0.0, 5.970018, 10.8566806, 8.29250315, 6.20268449, 13.2676417, -0.02034207, 6.20279731, 8.44576554, 4.11574095, 6.20280038, 13.26760349, 4.15641988, 6.20267558, 8.44573145, 4.15641988, 13.50924793, 13.26762954, 4.11574111, 13.50937258, 8.44575772, -0.02034207, 13.50936966, 13.26759567, 8.29250324, 13.5092567, 8.44571929, 2.06803618, 2.25578535, 14.08904297, 6.20406799, 2.25577951, 7.62431998, 6.20406832, 9.56235186, 14.08904145, 2.06803618, 9.56235756, 7.62431824, 0.0, 3.14289376, 10.8566806, 4.13607235, 3.14289069, 10.8566806, 4.13607235, 10.44946304, 10.8566806, 0.0, 10.44946597, 10.8566806]]}, "stress": {"__ndarray__": [[6], "float64", [-5.251920749429068e-05, -1.478722734920758e-05, 3.0568996495745325e-05, 3.708409322740825e-26, 1.839371024079449e-23, -1.6057214654524045e-07]]}, "unique_id": "261a448c0375464ac89e0978a21ec5b7", "user": "cmr"}, "ids": [1], "nextid": 2}