{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [3.5033882786221016, -1.290447261470326e-23, 0.0, -4.8429740562632376e-17, 12.261175027199677, 0.0, -2.56253928624754e-17, -1.5455985485318169e-28, 36.86178757304633]]}, "__ase_objtype__": "cell"}, "ctime": 24.891191011464738, "dipole": {"__ndarray__": [[3], "float64", [8.218598136331731e-14, -23.82450709869836, -1.2060741723586086e-08]]}, "energy": -94.34961086986114, "forces": {"__ndarray__": [[16, 3], "float64", [0.0, 0.00140365, -0.00537473, 0.0, -0.00243726, 2.261e-05, 0.0, 0.0020424, 0.0018942, 0.0, -0.00366273, -0.00470079, 0.0, 0.00199411, 0.0027203, 0.0, -0.00721632, 0.00339546, 0.0, 0.00200697, -0.0018105, 0.0, 0.00171363, -0.00837762, 0.0, -0.00140357, 0.00537472, 0.0, 0.00243727, -2.261e-05, 0.0, -0.00204244, -0.00189406, 0.0, 0.0036627, 0.00470056, 0.0, -0.00199382, -0.00272054, 0.0, 0.00721632, -0.00339554, 0.0, -0.00200705, 0.00181051, 0.0, -0.00171371, 0.00837749]]}, "free_energy": -94.36119362698032, "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": 24.891191011464738, "numbers": {"__ndarray__": [[16], "int64", [41, 41, 34, 34, 34, 34, 34, 34, 41, 41, 34, 34, 34, 34, 34, 34]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[16, 3], "float64", [1.75169414, 8.27883243, 18.96265429, 1.75169414, 3.29169696, 20.24840308, 0.0, 10.13188334, 19.7184421, -0.0, 7.72006771, 16.9938084, -0.0, 2.31037837, 21.94333446, -0.0, 7.44312237, 20.75430029, -0.0, 4.85402341, 21.51228157, 1.75169414, 5.4909347, 18.57106066, -0.0, 0.00422852, 17.89913317, -0.0, 4.99136398, 16.61338436, 1.75169414, 10.41235265, 17.14334538, 1.75169414, 0.56299324, 19.86797906, 1.75169414, 5.97268259, 14.91845302, 1.75169414, 0.83993856, 16.10748715, 1.75169414, 3.42903752, 15.34950586, -0.0, 2.79212624, 18.29072678]]}, "stress": {"__ndarray__": [[6], "float64", [-2.30071124345581e-06, -9.210798872429934e-06, -2.8452406983649292e-06, -1.304845215115996e-06, 0.0, 0.0]]}, "unique_id": "f212f4c261457606b84d8c93fcff2b5d", "user": "cmr"}, "ids": [1], "nextid": 2}