{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [5.2067676508826075, -3.0066939036532476, 0.0, 5.20641533223366, 3.0060836669942868, 0.0, 1.5752364740283707e-16, -9.422238055826946e-21, 24.88347977802503]]}, "__ase_objtype__": "cell"}, "ctime": 24.896528415458427, "dipole": {"__ndarray__": [[3], "float64", [0.051837984035145966, 0.01996510670860621, 9.947382227686908e-07]]}, "energy": -131.1961485661292, "forces": {"__ndarray__": [[19, 3], "float64", [-0.00077281, -0.00085286, -0.0098074, -0.00075156, -0.00023916, -0.00146836, 0.00569404, 0.00347019, 0.00156179, 0.00081426, 0.00072269, 0.00980547, -0.00036747, -0.00289635, 0.00052932, -0.0004351, 0.0057287, -0.00148669, -0.00065999, -0.00089074, 0.00197085, 0.00036799, 0.00275065, -0.00043527, 0.00039519, -0.00574866, 0.00142789, 0.0008135, 0.00074653, -0.00198196, 0.00075418, 0.00031686, 0.00143565, -0.00577713, -0.00343709, -0.00154377, -0.00085591, -0.00064264, 0.00198341, 0.00218292, -0.00061599, -0.00069861, -0.00485118, 0.00346053, 0.00145049, 0.00059814, 0.00090939, -0.00202475, -0.00211133, 0.00065773, 0.00065182, 0.00495634, -0.0034243, -0.00142966, 5.92e-06, -1.55e-05, -4.368e-05]]}, "free_energy": -131.2444222391569, "initial_magmoms": {"__ndarray__": [[19], "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]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[19], "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]]}, "mtime": 24.896528415458427, "numbers": {"__ndarray__": [[19], "int64", [41, 34, 34, 41, 34, 34, 41, 34, 34, 41, 34, 34, 41, 34, 34, 41, 34, 34, 41]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[19, 3], "float64", [-0.00020109, -6.886e-05, 9.17413325, 1.76377092, 1.01840064, 10.85001245, 1.72683892, 0.99708159, 7.47890303, -0.00013771, -2.473e-05, 15.7093205, 5.20651349, -0.96954658, 14.03341625, 5.20653045, -1.01221799, 17.40457441, 3.47087201, -0.00027287, 9.14922999, 5.20634228, 0.96884796, 10.85002334, 5.20633077, 1.01149124, 7.47889997, 3.47093094, -0.00027293, 15.73423588, 3.44231649, 1.98754442, 14.03345713, 3.47926497, 2.0088703, 17.40455257, 6.94192514, -0.00047799, 9.14922863, 3.4424872, -1.98808681, 10.85002251, 3.47940004, -2.0094059, 7.47890213, 6.94198798, -0.00046774, 15.73423803, 1.76393228, -1.01873545, 14.03345245, 1.72701559, -0.997413, 17.40455103, -0.00016906, -5.496e-05, 12.44173704]]}, "stress": {"__ndarray__": [[6], "float64", [-2.2421121461759268e-05, 2.810597455830467e-05, 3.044700303841332e-05, 2.4543279435856155e-06, 4.060563713079045e-06, -2.467705689826511e-05]]}, "tags": {"__ndarray__": [[19], "int32", [0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 1, 1, 2]]}, "unique_id": "10d2dad3410d1a1e1cd68bf82ba9d0b1", "user": "cmr"}, "ids": [1], "nextid": 2}