{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.4044571786136015, 7.690258547210067e-21, 0.0, 1.004449782855715e-16, 11.455591638281273, 0.0, -4.5706692098135136e-17, -1.5818847169347229e-28, 36.86178757304633]]}, "__ase_objtype__": "cell"}, "ctime": 24.687434896823305, "dipole": {"__ndarray__": [[3], "float64", [1.6085567352129226e-14, -19.98846516666461, -3.6959172711347354e-07]]}, "energy": -101.70249283391784, "forces": {"__ndarray__": [[16, 3], "float64", [0.0, 0.00358984, -0.00059967, 0.0, 0.00055627, -0.00113056, 0.0, 0.00182963, 5.87e-05, 0.0, -0.00206667, -0.0022786, 0.0, -0.00435244, 0.00175561, 0.0, 0.00413075, -0.0063747, 0.0, -0.00554357, -0.00538071, 0.0, -0.0071529, -0.00299495, 0.0, -0.00358952, 0.00060035, 0.0, -0.00055701, 0.0011294, 0.0, -0.00182904, -6.048e-05, 0.0, 0.00206687, 0.00228129, 0.0, 0.00435245, -0.00175541, 0.0, -0.00413096, 0.00637318, 0.0, 0.00554127, 0.00538309, 0.0, 0.00715124, 0.00299434]]}, "free_energy": -101.7059241023515, "initial_magmoms": {"__ndarray__": [[16], "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]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[16], "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]]}, "mtime": 24.687434896823305, "numbers": {"__ndarray__": [[16], "int64", [73, 73, 16, 16, 16, 16, 16, 16, 73, 73, 16, 16, 16, 16, 16, 16]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[16, 3], "float64", [1.70222859, 7.72142994, 18.88393294, 1.70222859, 3.12005095, 20.18933436, 0.0, 9.40812125, 19.65140303, 0.0, 7.21310851, 17.06685206, -0.0, 2.23225761, 21.73237358, 0.0, 6.88445062, 20.57520854, -0.0, 4.68300776, 21.24898698, 1.70222859, 5.11726133, 18.51625531, 0.0, 0.0174103, 17.97785385, 0.0, 4.61878984, 16.67245382, 1.70222859, 9.7863105, 17.21038392, 1.70222859, 0.52573066, 19.79493489, 1.70222859, 5.50658353, 15.12941405, 1.70222859, 0.85439086, 16.28657907, 1.70222859, 3.05583545, 15.61279956, 0.0, 2.6215786, 18.34553259]]}, "stress": {"__ndarray__": [[6], "float64", [8.27767609882639e-06, 1.9789041237175102e-05, 9.205892580125827e-05, 1.9687723713444546e-05, 0.0, 0.0]]}, "unique_id": "2a3fa89d7294c8a7eae83d24835275db", "user": "cmr"}, "ids": [1], "nextid": 2}