{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [-6.4645467534166725, -4.0055788883098185, 0.0, -0.033135332712285796, 8.031627162578745, 0.0, 1.9773514140407974e-15, -5.557839552345563e-19, 28.063121423238396]]}, "__ase_objtype__": "cell"}, "ctime": 24.89133694467199, "dipole": {"__ndarray__": [[3], "float64", [7.39304155090875, -30.490921372717185, 0.015905152787741964]]}, "energy": -65.05457660060267, "forces": {"__ndarray__": [[27, 3], "float64", [-0.01047685, -0.00470643, -0.00521561, 0.01002401, 0.00650983, -0.0040027, -0.01294728, -0.00538293, -0.01086291, 0.01092379, 0.00705284, -0.0091376, -0.00802081, -0.02598699, 0.00865795, 0.01766989, 0.01180077, 0.02009759, -0.00138995, 0.00841716, 0.00811715, -0.00065914, 0.0046815, -0.01022486, -0.01146286, -0.00486774, -0.00518964, 0.00903757, 0.00605183, -0.00569378, -0.01138195, -0.00587717, -0.01080526, 0.01159315, 0.00707778, -0.00790751, -0.00950974, 0.01389775, -0.00915993, 0.0081728, 0.01274668, -0.00368247, -0.00794767, -0.00301763, 0.00045744, 0.00216936, 0.01094672, 0.01150525, -0.011282, -0.00494121, -0.00618637, 0.00948407, 0.00539224, -0.0030266, -0.01246118, -0.00757899, -0.01178674, 0.01092728, 0.00693574, -0.00863614, -0.00769129, -0.00956193, 0.02181371, 0.02397729, -0.00676774, -0.0024284, -0.00623162, 0.00876292, 0.00168973, 0.0030456, -0.00634899, 0.02192319, 0.00213274, -0.00751845, -0.00635001, 0.00539477, -0.00864523, 0.01831502, -0.0130175, -0.00905429, 0.00854705]]}, "free_energy": -65.0747912221922, "initial_magmoms": {"__ndarray__": [[27], "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]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[27], "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]]}, "mtime": 24.89133694467199, "numbers": {"__ndarray__": [[27], "int64", [53, 53, 47, 47, 53, 53, 47, 47, 53, 53, 47, 47, 53, 53, 47, 47, 53, 53, 47, 47, 53, 53, 47, 47, 47, 47, 47]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[27, 3], "float64", [-4.33979593, 0.12175681, 6.97555041, -4.37093381, 2.67913271, 11.20903901, -0.00857059, 0.12146714, 9.88725367, -4.36600292, 2.69204744, 8.3080005, -4.98687357, -0.04869145, 15.9833992, -0.97646165, 0.62178913, 20.39366619, -4.86699718, 3.34498735, 19.73122404, -2.87566009, 1.59893817, 18.48375278, -6.47489234, -3.87872035, 6.97848326, -0.04111558, 2.68299436, 11.23381678, -2.19360864, 4.1294244, 9.90689892, -6.50480999, -1.31390325, 8.32417163, -6.93796042, -3.9140317, 16.1601175, -3.39188764, -3.20413455, 21.75906427, -2.24507428, 4.36189664, 19.12645617, -5.43852884, -2.16977675, 18.2738493, -2.18929337, 4.13738094, 6.99696977, -2.21546545, 6.71611684, 11.20486339, -4.34326427, 0.11300607, 9.88376801, -2.21386699, 6.71814324, 8.30409417, -2.74845436, 4.45496728, 14.58130824, -5.80905595, 0.52274376, 20.25148265, -3.25450235, -1.06793691, 19.75143376, 0.02432121, 5.83364162, 17.76478214, -4.10392143, 3.60652783, 16.96516836, -2.82264031, 6.26375314, 16.97173125, -7.69977663, -0.78538402, 16.71088189]]}, "stress": {"__ndarray__": [[6], "float64", [6.452669259546732e-05, -6.590828079126855e-05, -0.0004997006404660873, -0.00011575613273160923, -0.0002190887060374489, 0.00016117353003017234]]}, "tags": {"__ndarray__": [[27], "int32", [0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 0, 1, 1, 1, 1, 0, 0, 0, 0, 1, 1, 1, 1, 2, 2, 2]]}, "unique_id": "470fa55322e278214fab00be28571f30", "user": "cmr"}, "ids": [1], "nextid": 2}