{"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": 20.636158312416853,
 "energy": -616.38938763,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.004936, -0.00597, -0.005891, 0.004686, -0.000465, -0.003236, 0.004851, -0.000992, -0.00305, 0.005712, -0.002303, -0.001948, 0.004392, -0.003369, -0.004492, 0.004905, -0.003399, 0.000351, 0.003744, 0.001135, 0.002838, 0.000287, -0.005103, 0.00068, 0.001501, -0.002436, 0.002901, 0.007035, -0.000607, -0.00245, 0.003902, -0.00151, -0.004651, 0.001201, -0.000327, -0.004398, -0.002771, -0.003022, 0.00202, -5.3e-05, 0.001204, -0.002688, 0.000451, 0.000848, 0.003371, -0.004581, -0.00145, -0.001258, -0.00309, -0.002322, 0.000605, -0.00104, 0.004205, 0.000831, -0.001064, -0.001814, 0.00314, -0.000993, -0.002941, 0.000191, 0.001017, -0.002448, 0.000114, -1.9e-05, -0.0007, 0.001809, 0.001963, -0.002302, 0.000619, -0.001846, 0.00226, 0.000141, -0.00853, -0.003695, 0.000243, 0.004684, 0.006173, 0.0012, 0.001956, 0.005863, -0.006612, 0.000827, -0.002634, 0.005893, -0.001258, -0.003016, -0.001171, 0.003846, 0.001819, 0.002864, 0.001031, 0.001387, -0.007369, 0.00157, -0.001706, -0.002338, 0.001106, 0.000406, -0.002119, 0.00325, 0.007146, 0.000593, -0.005108, -0.001392, 0.001591, -0.002723, -0.000309, -0.00401, -0.001266, 0.006465, 0.002408, -0.000283, 0.005234, -3.5e-05, -0.003338, -0.003366, 0.005366, 0.000617, 0.000886, -0.000874, 0.002492, 0.000162, 0.001426, 0.000359, -0.000164, -0.002993, -0.000973, 0.000813, 0.002998, -0.000896, -0.0022, -0.001487, 0.000652, -0.00064, -0.003592, 0.008098, -0.002205, -0.00171, 0.007771, -0.003063, 0.000685, 0.003049, -0.003737, 0.006516, -0.006092, 0.000693, -0.001747, -0.004279, -0.002412, -0.001422, -0.000599, 0.009508, 0.01236, -0.00525, 0.005844, -0.000673, -0.0065, -0.000535, 0.006817, 0.000886, 0.002419, -0.005178, -0.004884, -0.01717, -0.010387, 0.00418, 0.008811, -0.005114, 0.008394, 0.002614, -0.010328, 0.005832, -0.000945, 0.007637, -0.006537, -0.005469, -0.006558, 0.000882, -0.002189, 0.007418, 0.001389, -0.001027, -0.005507, -0.004123, 0.00221, 0.000209, -0.004281, 0.010481, 0.004568, -0.002372, -0.009421, 3.1e-05, 0.004651, -0.000584, -0.002622, 0.003385, 0.004306, -0.002727, 0.002108, -0.000608, -0.001885, 0.003579, -0.001419, 0.005925, 0.001551, -0.002856, 0.007941, -0.012532, 0.00617, 0.012853, -0.003512, 0.00632, -0.001054, -0.002395, -0.004345, -0.00169, 0.000135, -0.00048, -0.005839, 0.003712, -0.001218, -0.001764, 0.00215, -0.00137, 0.000472, 0.000727, -0.001661, 0.002443, 0.002235, -0.004603, 0.000415, -0.004371, -0.002627, -0.002799, 0.002824, 0.020507, -0.001341, 0.003401, 0.014446, -8.8e-05, -0.007106, 0.004258, -0.002965, -0.007481, 0.0013, 0.005071, -0.016371, -0.01227, 0.005666, -0.005395, -0.001075, 0.008841]]},
 "free_energy": -616.68779696,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.586701754571656,
 "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", [7.35467, 13.26668, 12.71132, 5.13704, 10.8256, 10.83262, 6.0759, 11.50934, 12.71078, 6.78978, 13.69778, 8.98376, 7.71423, 14.36986, 10.83243, 5.49086, 11.91242, 8.98342, 8.21645, 9.8688, 14.58248, 5.95704, 9.10779, 7.34386, 9.57547, 11.73905, 14.58127, 9.59896, 14.12067, 7.34385, 10.58245, 14.83498, 9.31102, 5.5808, 7.95295, 9.31125, 10.33888, 8.36469, 5.28767, 14.42152, 12.18941, 10.81116, 11.65902, 10.1818, 5.28747, 9.2827, 5.11953, 10.81242, 14.05676, 11.06666, 12.72274, 10.23776, 5.81462, 12.72321, 11.19979, 6.70249, 6.49275, 14.80757, 10.82293, 9.09669, 14.17005, 8.86198, 12.43456, 12.36978, 6.38607, 12.43493, 13.50572, 9.87692, 6.49222, 10.70188, 5.17196, 9.09739, 7.82307, 12.54685, 12.01192, 6.23093, 10.79414, 10.66278, 6.90534, 11.28504, 12.01213, 7.41812, 12.8565, 9.33576, 8.08147, 13.33894, 10.66273, 6.48483, 11.57401, 9.33536, 9.58899, 13.37371, 10.54864, 8.45348, 12.54858, 8.27725, 9.21383, 12.22248, 12.51027, 7.64251, 10.06252, 12.51158, 7.09714, 10.68416, 8.27616, 6.66267, 9.34934, 10.54967, 10.16659, 12.81392, 11.68504, 8.14626, 11.34643, 7.64438, 7.37465, 8.97412, 11.68581, 8.68917, 9.98186, 13.58245, 6.83238, 9.23115, 8.01843, 9.61395, 11.25346, 13.58172, 9.753, 13.24993, 8.01808, 10.4214, 13.73554, 9.35549, 6.57648, 8.44599, 9.35631, 9.0699, 10.67454, 6.77108, 11.56529, 12.48862, 11.76149, 8.11636, 7.74467, 11.76125, 11.01949, 10.70312, 13.30436, 11.76517, 12.9952, 9.40137, 10.77248, 12.27321, 7.41499, 9.64654, 8.81509, 13.3045, 8.07537, 8.56182, 7.41546, 7.69519, 7.39578, 9.40175, 10.39968, 11.14029, 6.72053, 11.95195, 11.38489, 12.54857, 9.03844, 9.26633, 6.72146, 12.32832, 12.54273, 10.57779, 9.28544, 7.71805, 12.54837, 8.3007, 7.00182, 10.57792, 11.02212, 9.25805, 13.2743, 11.99488, 12.24604, 8.18638, 8.4784, 7.40737, 8.18641, 10.39763, 8.71518, 6.32918, 13.50963, 11.5921, 10.66051, 11.34373, 10.01765, 6.32906, 9.56898, 6.17107, 10.66029, 13.24826, 10.78765, 12.03016, 10.25389, 6.66968, 12.03051, 12.02587, 8.52827, 12.67667, 12.89832, 11.20936, 8.11147, 9.74372, 6.86879, 8.11189, 10.81652, 7.46807, 7.1935, 13.72673, 10.78047, 9.32943, 13.21744, 9.2142, 11.99596, 11.74061, 7.18358, 11.9966, 12.65902, 10.00444, 7.19279, 10.40816, 6.21314, 9.32936, 12.67294, 8.9085, 8.23183, 13.04799, 8.65538, 10.6029, 11.6347, 7.0894, 9.43074, 12.21961, 7.51568, 10.60285, 11.86352, 7.79412, 8.23201, 13.27197, 9.34388, 9.43076]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0001222025071756683, 9.221829733492513e-05, 9.8428598915179e-05, 1.4661304936699776e-05, -2.9023017435357147e-06, -1.607188599914939e-05]]},
 "unique_id": "9d65113974ec1054bd092521b1746069",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}