{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [20.0, 0.0, 0.0, 0.0, 20.0, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 20.63615739443642,
 "energy": -617.5477137,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.001797, -0.002786, 0.001538, 0.001271, -0.000514, -0.003051, -0.001792, -0.001551, -0.00171, 0.003208, 0.002664, 0.001172, 0.000582, 0.000692, 0.00365, 0.001176, 0.003901, -0.000906, 0.004536, 0.001644, 0.002324, -0.001348, -0.003991, 0.000754, -0.000406, 0.001213, -0.00512, 0.004227, -0.00733, 0.001373, 0.007001, 0.001792, -0.0001, 0.002888, -0.002904, -0.006441, -0.00413, 0.006112, -0.000631, -0.006681, 0.001041, -0.000337, -0.005504, 0.003654, 0.00491, -0.003749, -0.001052, -0.001723, -0.000356, 0.002679, -0.001642, -0.000886, -0.000203, 0.004597, -0.002474, -0.002336, -0.000755, -0.001634, 0.001556, -0.002427, -0.001086, -0.001392, 0.003822, 0.001328, 0.000726, 0.001703, -0.001654, -0.003339, 0.002724, -0.001183, -2.7e-05, -0.002397, -0.000774, 0.002947, -0.003294, 0.001255, 0.002694, 0.001796, -0.001577, -0.004016, -0.001908, -0.001407, -0.003816, 0.002952, 0.003192, -0.004116, 0.003306, 0.004817, -0.000382, -0.004174, 0.000438, 0.0002, 9.4e-05, 0.000463, 0.001705, 0.000977, -0.002768, 0.00181, -0.001861, 0.000377, 0.001813, -0.000763, 0.000812, -0.005274, 0.001665, -0.001909, 0.007087, 0.005254, -0.000509, 0.002208, 5.4e-05, 0.002518, 0.001767, -0.004211, 0.000897, -0.001175, 0.002412, 0.001182, -0.002266, -0.000396, -0.002166, 0.004306, 0.000779, -0.002196, -0.004462, -0.000123, -0.000985, -0.000178, 0.004923, 0.000418, -0.000991, 0.000198, 0.000184, -0.004092, -0.003381, -0.004471, -0.006394, -0.002703, 0.003941, 0.001236, -0.001055, -0.000687, -0.000773, 0.004062, 9e-06, 0.000653, 7e-05, -0.003851, 0.000708, -0.003048, -0.000575, -0.001684, -0.002676, 0.001741, 0.006055, 0.000572, 0.006464, -0.000569, -0.004841, -0.004929, 0.002948, 0.001931, 0.007597, 0.007822, 0.002402, 0.000454, 0.000488, -0.001196, -0.002091, 0.001925, 0.00104, 0.001792, -0.001922, 0.003746, -0.001144, -0.002107, -0.004205, 0.003554, -0.000754, 0.002214, -0.00463, -0.002377, 0.00293, -0.000958, 0.004457, 0.000529, 0.002455, -0.001157, -0.003898, 0.00026, -0.001194, -0.00037, -0.00069, -0.002315, 0.001593, 0.003477, -0.004977, 0.003565, 0.001085, 0.000365, 0.001163, 0.000989, -0.000918, -0.001699, 0.00157, 0.001478, -0.000565, 0.001109, -0.002597, 0.003336, 0.005667, 0.001425, -0.00093, -0.000654, -0.002688, -0.001135, -0.000202, 0.00295, 0.0015, 0.000377, -0.000334, 0.001304, 0.004282, -0.003322, -0.004892, -0.006315, -0.001898, -0.002987, -0.003023, -0.002156, -0.002533, 0.00263, 0.001479, 0.000151, 0.000577, -0.000313, 0.004756, -0.001278, -0.003017, 0.001607, 0.00039, 0.003851, -0.004235, 0.000456, 0.006278, -7.9e-05, -0.004816, 0.003895, 0.003114, -0.004361, -0.000563, -0.004162]]},
 "free_energy": -617.54774231,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.588044165314138,
 "numbers": {"__ndarray__": [[84], "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, 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__": [[84, 3], "float64", [7.40964, 13.22284, 12.72508, 5.17573, 10.77172, 10.80715, 5.98134, 11.67318, 12.56845, 6.85346, 13.67969, 8.96165, 7.49023, 14.29886, 10.88021, 5.46385, 12.06842, 9.1632, 9.59084, 14.92236, 10.79018, 6.65614, 9.93389, 13.72105, 5.84661, 10.89037, 7.35331, 10.32985, 14.05222, 12.74322, 7.46077, 12.1603, 6.40548, 6.03262, 8.27802, 12.31106, 12.83899, 8.25009, 13.59465, 13.75243, 11.56493, 7.25712, 9.58802, 5.69382, 7.68861, 10.96938, 6.79955, 6.27879, 14.81006, 11.13066, 9.20864, 12.12677, 6.32537, 12.64357, 13.86605, 8.53141, 7.27503, 14.47195, 8.14362, 11.03713, 12.224, 5.65037, 9.19321, 13.36749, 6.32623, 10.83628, 12.83276, 6.69408, 7.43087, 14.864, 8.94045, 9.11966, 7.84989, 12.50841, 12.00425, 6.26975, 10.77575, 10.64269, 6.85252, 11.29315, 12.02022, 7.45841, 12.83506, 9.34169, 8.05106, 13.3741, 10.69551, 6.45007, 11.61563, 9.32547, 9.59461, 13.82338, 10.69349, 8.44443, 12.54858, 8.25407, 9.2282, 12.24268, 12.5217, 7.30672, 9.98145, 12.83144, 6.75559, 10.80328, 7.97221, 6.65197, 9.33177, 10.56632, 10.24925, 13.23065, 12.00309, 7.91707, 11.57156, 7.22679, 6.96402, 8.73627, 11.92148, 8.73342, 9.96571, 13.27162, 7.08203, 9.35765, 8.15622, 9.57745, 11.13286, 13.21288, 9.73605, 12.95203, 8.27645, 10.36808, 13.44637, 9.47331, 6.88927, 8.67106, 9.40903, 9.04258, 10.72443, 6.67392, 11.59845, 12.5633, 11.8399, 8.03564, 7.67509, 11.79859, 10.97815, 10.69195, 13.29189, 11.69199, 13.01458, 9.416, 10.75904, 12.28404, 7.4578, 9.59346, 8.86947, 13.29414, 8.02722, 8.61389, 7.45201, 7.69117, 7.43808, 9.38592, 10.3565, 11.14386, 6.70911, 11.9394, 11.42704, 12.54391, 9.04998, 9.2648, 6.70693, 12.34761, 12.54006, 10.58636, 9.28942, 7.69798, 12.5462, 8.27586, 7.01462, 10.61146, 10.98461, 9.31289, 13.32593, 11.94539, 12.31119, 8.16162, 8.39316, 7.41312, 8.19843, 10.35825, 8.78489, 6.73057, 13.16838, 11.41491, 10.52945, 11.20791, 9.94766, 6.78876, 9.69598, 6.63371, 10.5891, 12.89278, 10.66117, 11.72701, 10.28883, 7.03021, 11.84145, 12.13885, 8.50414, 12.77328, 12.99634, 11.23488, 7.99795, 9.73479, 6.72149, 8.07815, 10.81389, 7.43209, 7.16919, 13.76353, 10.79563, 9.30746, 12.9068, 9.30839, 11.7474, 11.76461, 7.1646, 12.02581, 12.37185, 9.95837, 7.47911, 10.39799, 6.60918, 9.43262, 13.05027, 8.72967, 7.99562, 13.48178, 8.45965, 10.65789, 11.88945, 6.69204, 9.35719, 12.63215, 7.12422, 10.6734, 12.2022, 7.4052, 7.97924, 13.8113, 9.18874, 9.30498]]},
 "stress": {"__ndarray__": [[6], "float64", [0.000123663020311125, 8.378601850585685e-05, 8.640121082960195e-05, 1.1372029627359296e-05, -3.3516904005993096e-06, -1.614678410865999e-05]]},
 "unique_id": "9cbee42a977028b907bf0b4c1edb30cf",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}