{"1": { "calculator": "unknown", "calculator_parameters": {"energy": -661.36092703}, "cell": {"__ndarray__": [[3, 3], "float64", [20.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 20.369657126028482, "energy": -661.36092703, "forces": {"__ndarray__": [[96, 3], "float64", [-0.00022, -0.0017, 0.000645, 0.00145, -0.000984, 0.001755, -0.001155, 5.9e-05, 0.000222, -0.00023, 0.000687, 0.000196, -0.000545, 7.7e-05, 0.002502, -0.002239, -0.001448, -0.000898, -0.001272, 3.9e-05, 0.000618, 0.000289, -4.7e-05, 0.002134, 0.000674, 0.000134, 0.003009, 0.001168, 0.001871, -0.001076, -0.001252, -0.002108, 0.000718, -0.001224, -4.6e-05, -0.000666, -0.000374, -0.000408, -0.000555, 0.000744, -0.000383, -0.001197, -7.2e-05, -0.000771, -0.002274, 0.00218, -0.00025, -0.00248, -0.000107, 0.000495, 0.00277, 0.002985, 0.002036, 0.000584, -0.001936, -3e-05, -0.000531, 0.001833, -0.000153, -0.001346, -0.000623, -4e-05, 0.00284, -0.000916, -0.001218, -0.001485, 0.002068, -0.000367, -0.00461, 0.001448, 0.000565, -0.000475, -5.2e-05, 0.000397, 0.00017, -0.001203, 0.000345, 0.00029, 0.00026, -0.002688, -0.002971, -0.004713, 0.000634, 0.004373, 0.000439, -2.1e-05, -0.001155, 0.001741, 0.000155, -0.00039, 0.002294, -0.000917, -7.4e-05, -0.001284, -7.1e-05, 0.000301, 0.00015, 0.001786, -0.002432, -0.001382, 0.00076, -0.001178, 0.002342, -0.002149, -0.00086, -0.001275, 0.002712, -0.003731, 0.003, -0.000184, 0.001129, 0.000118, 0.001124, 0.000923, 0.002565, 0.002538, 0.00313, 0.004637, -0.002986, -0.002004, 0.000722, -0.003133, 0.00132, -0.002245, 0.002709, 0.003706, 0.002104, -0.003147, -0.003964, 0.000584, -0.001135, 0.002095, -0.000728, -0.001237, -0.00335, -0.000237, -0.001425, 0.001827, 0.000891, 0.00102, -0.000879, 0.000519, -0.00284, -0.000625, 0.003259, -0.00209, 0.001484, -0.000149, 0.001909, 0.001998, -0.002411, 0.00052, -7e-06, -0.005719, 0.002661, -0.001926, -0.000945, -0.003477, 0.002749, 0.002312, -0.002149, -0.004257, -0.004001, -0.000891, -0.002404, -0.004651, 0.00191, 0.004664, 0.000868, 0.001426, -0.000629, -0.001233, -0.00247, -0.000296, 0.003416, -0.000174, -0.0037, 0.002798, 0.000136, -0.001545, -0.001585, 0.000723, 0.000775, 0.000122, 0.001788, -0.002682, 0.002825, 0.001431, 0.00157, 1.8e-05, 0.002399, 0.00199, -0.00151, 0.000793, 0.000734, -0.002169, 0.002871, 0.00203, 0.00108, 0.004088, 0.001487, -0.000344, 0.001719, 0.000306, 0.00263, 5.4e-05, 0.00031, 0.003285, 0.000662, -0.002501, 0.002933, 3.8e-05, -0.001016, 0.003628, -0.001508, 0.004209, 0.000696, 0.000238, 0.002176, -0.002578, -0.001282, -2.5e-05, 0.002485, -0.002238, 0.0015, -0.003602, 0.001967, 0.001129, -0.00595, -0.002061, -0.001185, -0.000324, -0.004162, -2.5e-05, -0.000377, 0.002073, 0.004085, 0.001185, 0.001527, -0.002769, -0.003256, 0.002159, -0.000444, 0.001149, -0.000296, -0.002428, 0.001797, -0.005205, 0.000442, -0.000138, -0.00111, 0.001853, -0.000192, 0.003069, -0.001955, 0.003601, 0.001296, 0.004119, -0.001028, -0.001273, -0.002365, -0.002029, 0.003411, -0.004984, -0.000369, 0.005414, 0.001696, -0.000653, -0.000509, -0.000907, -0.004657, -0.000826, 0.000601, -0.002418, -0.000747, 0.00191, 0.001965, -0.002749, -0.001257, -0.002982, -0.001296, -0.000221, 0.000452, 0.000543, -0.003103, 0.000842, 0.001433, 0.002758]]}, "key_value_pairs": {"perms_number": 3}, "mtime": 24.99526341705018, "numbers": {"__ndarray__": [[96], "int32", [1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 1, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6, 6]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[96, 3], "float64", [6.77027, 13.71457, 9.26761, 5.49315, 11.90417, 9.3521, 7.97269, 13.71905, 7.43545, 6.50982, 9.99129, 13.38499, 5.81134, 11.03408, 7.43743, 10.12946, 14.16196, 12.51202, 7.22859, 12.03709, 6.33777, 8.21557, 10.02261, 14.67534, 5.80051, 8.99942, 7.42934, 9.4219, 11.79533, 14.58067, 5.47795, 8.09468, 9.34398, 8.63404, 11.01718, 5.28017, 12.18733, 13.68664, 12.56667, 11.37836, 11.01738, 14.69776, 12.25756, 14.18566, 8.99145, 9.43689, 8.31092, 14.66925, 7.21214, 7.94965, 6.36726, 6.74349, 6.30598, 9.28927, 10.60175, 11.80763, 5.44572, 12.76094, 12.01941, 13.63567, 8.60483, 8.96275, 5.28638, 13.30371, 13.67363, 10.78508, 8.96115, 6.68707, 13.40415, 11.38752, 8.9787, 14.6858, 7.98089, 6.28892, 7.44972, 10.59526, 8.18573, 5.43069, 14.51778, 11.90697, 10.68346, 11.85498, 9.97916, 5.38027, 14.17173, 11.01384, 12.56112, 12.77242, 7.97003, 13.63253, 14.16654, 9.00255, 12.56187, 12.04839, 6.2968, 12.57327, 14.51098, 8.00226, 10.79198, 12.27135, 5.8227, 8.98247, 13.27243, 6.30239, 10.81043, 14.68751, 9.15075, 9.0272, 8.12448, 12.228, 11.77571, 6.70655, 10.71474, 10.56952, 7.21904, 11.14976, 11.778, 7.44325, 12.84752, 9.34602, 8.29184, 13.02015, 10.57541, 6.54071, 11.55647, 9.35021, 9.593, 13.48099, 10.5776, 8.28571, 12.82194, 7.99249, 9.27964, 12.22398, 12.52725, 7.3985, 9.99037, 12.71966, 6.73718, 10.80037, 7.97757, 6.67769, 9.29426, 10.56886, 10.23999, 13.21888, 11.93298, 7.82664, 11.58046, 7.13635, 7.20161, 8.8298, 11.77242, 8.64471, 10.00175, 13.66573, 6.72421, 9.22021, 7.97893, 9.58403, 11.27392, 13.61488, 9.74808, 12.93747, 8.22022, 10.32786, 13.44234, 9.38131, 6.51481, 8.46606, 9.34788, 8.91366, 10.78071, 6.31429, 11.74922, 12.85805, 11.99567, 8.0025, 7.67705, 11.7938, 11.082, 10.7862, 13.6661, 11.8225, 13.22442, 9.3367, 10.72788, 12.2086, 7.49307, 9.57042, 8.72478, 13.66146, 7.81247, 8.41966, 7.1562, 7.43232, 7.1617, 9.35449, 10.41686, 11.25983, 6.38588, 12.15909, 11.57731, 12.83266, 8.89967, 9.19932, 6.31652, 12.58084, 12.85835, 10.65523, 9.19739, 7.53983, 12.73028, 8.24916, 7.01439, 10.60802, 11.07881, 9.20795, 13.6588, 11.92882, 12.27396, 8.17515, 8.27459, 7.18447, 8.02415, 10.39856, 8.71196, 6.37816, 13.46865, 11.54831, 10.64328, 11.35045, 9.99102, 6.35827, 9.65352, 6.66399, 10.60645, 13.25018, 10.7897, 12.00797, 10.26061, 7.06462, 11.77727, 12.16909, 8.42429, 12.8356, 12.71686, 11.11031, 8.26278, 9.74502, 7.07667, 8.2455, 10.72053, 7.76739, 7.47728, 13.31911, 10.71188, 9.43671, 13.24923, 9.21522, 11.99998, 11.71709, 7.17701, 11.98474, 12.40302, 9.96664, 7.4315, 10.34793, 6.57584, 9.38525, 12.79009, 8.84218, 8.13274, 13.50393, 8.41669, 10.65534, 11.83661, 6.78431, 9.32717, 12.57905, 7.13892, 10.65815, 11.93859, 7.72675, 8.15094, 13.62541, 9.24141, 9.34435]]}, "stress": {"__ndarray__": [[6], "float64", [0.00011526819053681202, 0.00012588499755993945, 0.00017944338736914365, 2.2594263035697395e-06, 3.663765856893473e-06, -1.1484376791625196e-05]]}, "unique_id": "d740729ed10f59830333462823a88459", "user": "hecc"}, "ids": [1], "nextid": 2}