{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [17.925820624, -0.156300578, -0.050691299, -0.156182767, 18.031383114, -0.098176676, -0.051449999, -0.098210507, 18.548125805]]},
 "ctime": 20.60262141802227,
 "energy": -621.16752051,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.088444, -0.047115, -0.067209, -0.030607, 0.141813, -0.033483, 0.153177, -0.029512, -0.172087, -0.161963, 0.097138, -0.108761, -0.106107, 0.138659, 0.061917, -0.109134, 0.099925, -0.073716, -0.142269, 0.007087, 0.176524, -0.152064, 0.021056, 0.120272, 0.070579, -0.022541, -0.132486, 0.021949, -0.064262, 0.096012, 0.006866, 0.180167, -0.005691, -0.066983, -0.128941, 0.432228, 0.066983, 0.128941, -0.432228, -0.006866, -0.180167, 0.005691, -0.021949, 0.064262, -0.096012, -0.070579, 0.022541, 0.132486, 0.142269, -0.007087, -0.176524, 0.109134, -0.099925, 0.073716, 0.152064, -0.021056, -0.120272, -0.153177, 0.029512, 0.172087, 0.106107, -0.138659, -0.061917, 0.161963, -0.097138, 0.108761, -0.088444, 0.047115, 0.067209, 0.030607, -0.141813, 0.033483, 0.107873, 0.231734, 0.051726, 0.214711, -0.002195, 0.269183, -0.347586, -0.494856, 0.089198, 0.070827, -0.07653, 0.323515, 0.309898, -0.084445, -0.126562, -0.053243, -0.120047, 0.3323, 0.044207, -0.231748, 0.158503, -0.171523, -0.190305, -0.349888, 0.057353, 0.072945, -0.118277, 0.233237, 0.125607, -0.330853, 0.083242, -0.045091, -0.379051, -0.055171, 0.295018, -0.279657, -0.783406, 0.129966, 0.131339, 0.095935, -0.07066, 0.026421, 0.073854, -0.045209, 0.225987, -0.128064, 0.340055, -0.139004, -0.060325, 0.264304, -0.026562, -0.123374, 0.172815, -0.23325, -0.064421, 0.391828, 0.381766, 0.101466, 0.02322, -0.269919, -0.119426, -0.074686, 0.3594, -0.412585, -0.054005, -0.124671, 0.590233, -0.177262, -0.048782, -0.103974, -0.108393, -0.446762, 0.337847, -0.249215, -0.02624, 0.291588, -0.129778, 0.413593, 0.134144, -0.062939, -0.293976, 0.129435, -0.056439, -0.127615, 0.218176, -0.335302, -0.067095, 0.233894, -0.315101, 0.290678, -0.129435, 0.056439, 0.127615, -0.218176, 0.335302, 0.067095, -0.337847, 0.249215, 0.02624, -0.233894, 0.315101, -0.290678, -0.134144, 0.062939, 0.293976, -0.291588, 0.129778, -0.413593, 0.412585, 0.054005, 0.124671, 0.103974, 0.108393, 0.446762, -0.590233, 0.177262, 0.048782, 0.123374, -0.172815, 0.23325, 0.119426, 0.074686, -0.3594, 0.128064, -0.340055, 0.139004, -0.101466, -0.02322, 0.269919, 0.060325, -0.264304, 0.026562, 0.064421, -0.391828, -0.381766, -0.095935, 0.07066, -0.026421, -0.073854, 0.045209, -0.225987, 0.783406, -0.129966, -0.131339, -0.057353, -0.072945, 0.118277, 0.055171, -0.295018, 0.279657, -0.083242, 0.045091, 0.379051, 0.171523, 0.190305, 0.349888, -0.233237, -0.125607, 0.330853, -0.044207, 0.231748, -0.158503, 0.347586, 0.494856, -0.089198, 0.053243, 0.120047, -0.3323, -0.309898, 0.084445, 0.126562, -0.070827, 0.07653, -0.323515, -0.107873, -0.231734, -0.051726, -0.214711, 0.002195, -0.269183]]},
 "free_energy": -621.16759041,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 25.58223138848451,
 "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", [6.20818, 12.29895, 11.82633, 4.14122, 9.9302, 9.86556, 4.895, 10.66137, 11.81177, 5.47241, 12.49333, 8.3837, 6.73178, 13.32544, 9.97547, 6.86672, 12.68901, 6.5747, 8.18065, 12.07252, 12.78355, 5.41548, 8.80237, 12.81078, 5.89381, 10.79392, 5.66407, 7.26837, 9.19889, 13.94825, 7.37135, 9.5972, 4.50429, 8.27313, 7.11952, 13.86917, 9.44506, 10.65735, 4.53009, 10.34684, 8.17967, 13.89497, 10.44982, 8.57798, 4.45101, 11.82438, 6.98295, 12.73519, 9.53754, 5.70435, 5.6157, 10.85147, 5.08786, 11.82456, 12.30271, 8.97451, 5.58848, 12.82319, 7.1155, 6.58749, 10.98641, 4.45143, 8.42379, 12.24578, 5.28354, 10.01556, 11.51, 5.47792, 6.57293, 13.57697, 7.84668, 8.5337, 6.73738, 11.54246, 11.22717, 5.2377, 9.77906, 9.86006, 5.7868, 10.30945, 11.26432, 6.3205, 11.8048, 8.51403, 7.03596, 12.28056, 9.83274, 5.81277, 10.40193, 8.60915, 8.54074, 12.2865, 9.72789, 7.14379, 11.7939, 7.1492, 8.14779, 11.37033, 11.93068, 6.21773, 8.97482, 12.08358, 6.02203, 9.69753, 7.47102, 5.51534, 8.28678, 9.85985, 9.17376, 11.8477, 10.91987, 6.68604, 10.50028, 6.37145, 6.13296, 7.87702, 11.05864, 7.56021, 8.96448, 12.90888, 5.92972, 8.2724, 7.41888, 8.52766, 10.00383, 12.43535, 8.61049, 11.76275, 7.30633, 9.24251, 12.22125, 8.5426, 5.69227, 7.57479, 8.67922, 7.7709, 9.65786, 5.53215, 10.47278, 11.40838, 10.92744, 6.93779, 6.75138, 11.07907, 9.80299, 9.54677, 12.40069, 10.60533, 11.79496, 8.51385, 9.52454, 11.05266, 6.58963, 8.45623, 7.64749, 12.93376, 6.8661, 7.55729, 6.69301, 6.49542, 6.39812, 8.69057, 9.26196, 10.12938, 5.4655, 10.85208, 10.21958, 11.70625, 7.9152, 8.2301, 5.99857, 11.22277, 11.37875, 9.70869, 8.19364, 6.72421, 11.80963, 7.11285, 5.98192, 9.88541, 9.94729, 8.11901, 12.8671, 10.7804, 11.02549, 7.32018, 7.2454, 6.36849, 7.47182, 9.19053, 7.77304, 5.96391, 12.02592, 10.20208, 9.72004, 10.15798, 8.81239, 5.49037, 8.47568, 5.55562, 9.85666, 11.78847, 9.50448, 10.98038, 9.10769, 6.01413, 11.09293, 11.03214, 7.2766, 12.02781, 11.58523, 9.89986, 7.34062, 8.54442, 5.92917, 7.47939, 9.57039, 6.40655, 6.46858, 12.20285, 9.4901, 8.53941, 11.69616, 8.07934, 10.92824, 10.5744, 5.98297, 11.25006, 11.50046, 8.80205, 6.31568, 9.17745, 5.49037, 8.67136, 11.93139, 7.46742, 7.13493, 11.90542, 7.37494, 9.79011, 10.68223, 5.49631, 8.56651, 11.39769, 5.97207, 9.88523, 10.98081, 6.23441, 7.17209, 12.48048, 7.99782, 8.5392]]},
 "stress": {"__ndarray__": [[6], "float64", [-0.00020007157503018784, -0.00021964494764895772, -0.00033515031553255325, 0.0001221213675570318, -0.0002472074519488582, 9.515804813321616e-05]]},
 "unique_id": "a0d76b5ef90f968371793f28ce46ccc9",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}