{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [17.864549003, -0.267213399, -0.070744709, -0.26746409, 17.991896129, -0.322341939, -0.070272385, -0.322418674, 17.425635845]]},
 "ctime": 20.60264384448618,
 "energy": -595.08398745,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.07515, -0.008741, -0.167595, 0.045678, 0.025244, -0.029051, 0.00986, -0.081254, -0.015724, 0.011921, -0.054539, -0.029799, -0.040769, 0.079793, 0.055404, 0.186568, -0.063976, 0.164135, 0.031102, -0.151381, -0.084496, -0.119636, 0.070956, -0.086398, 0.074244, -0.017961, -0.223207, -0.095137, 0.037509, -0.138997, -0.097274, -0.279892, 0.158233, 0.160681, 0.082356, 0.025804, -0.243182, 0.084702, 0.126069, 0.108137, -0.078856, 0.11908, -0.100502, -0.132438, 0.017226, 0.176245, -0.214494, 0.160161, -0.112959, 0.022356, 0.130814, -0.078101, 0.015395, 0.215042, -0.08366, 0.048262, 0.219229, -0.298999, 0.111007, 0.125436, -0.23932, -0.129941, 0.114415, -0.405773, 0.239222, -0.072382, -0.002602, 0.434846, 0.122607, -0.366462, 0.15628, -0.122845, 0.035464, 0.090752, -0.2785, 0.003627, 0.139009, 0.112132, -0.130897, -0.092804, 0.182929, 0.127942, 0.044382, 0.14685, 0.126844, 0.036722, -0.079092, 0.067057, -0.036036, -0.053315, 0.592721, 0.358392, 0.293122, 0.16738, -0.379965, -0.75964, -0.428501, -0.070826, -0.045, -0.184876, 0.490998, 0.300796, -0.217176, -0.12003, -0.317537, -0.250853, 0.101681, 0.309525, -0.035485, 0.153853, -0.063603, 0.056546, 0.247466, 0.332037, -0.190764, -0.062989, 0.175181, -0.0387, 0.258063, 0.201689, -0.246546, 0.343023, -0.33793, 0.106867, -0.080656, 0.035303, -0.048012, -0.203545, 0.16236, -0.143248, 0.406941, 0.264161, -0.381241, -0.00978, -0.323545, -0.085895, 0.001569, -0.022122, 0.149002, 0.223599, -0.238041, -0.355685, 0.067173, 0.406515, 0.336331, -0.058582, -0.063781, 0.527925, -0.134406, 0.112741, -0.285784, -0.665755, 0.167831, 0.38862, -0.26595, -0.165486, -0.096574, -0.232817, 0.076018, 0.042176, -0.154818, -0.167258, -0.158016, 0.170113, 0.2268, 0.003121, -0.09668, -0.182261, 0.128739, -0.11747, -0.235368, 0.386328, 0.161427, -0.342189, 0.116028, -0.011624, 0.36121, 0.274709, -0.032285, 0.008948, 0.376339, -0.236042, 0.372587, 0.172569, -0.445584, 0.129783, -0.001528, -0.137253, 0.049766, 0.025954, -0.762522, -0.269316, 0.124948, -0.126746, 0.056862, 0.290665, 0.258257, -0.07324, -0.411177, -0.506475, 7e-05, 0.22612, 0.12887, -0.26708, 0.087345, 0.451421, -0.015493, 0.125586, 0.243451, -0.041779, -0.037717, -0.001321, -0.203536, 0.047045, -0.182418, -0.140652, -0.15677, -0.265558, -0.25913, 0.450839, 0.313387, -0.076877, 0.179453, 0.011661, 0.071103, -0.325093, -0.167267, 0.000618, 0.007321, 0.415336, -0.432276, -0.136283, 0.346206, 0.11395]]},
 "free_energy": -595.3195639,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.586838071483044,
 "numbers": {"__ndarray__": [[78], "int32", [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__": [[78, 3], "float64", [6.11367, 11.93121, 11.19561, 3.93214, 9.5166, 9.29207, 4.84448, 10.21753, 11.15607, 5.6142, 12.38182, 7.4853, 6.50945, 13.03002, 9.31786, 4.31163, 10.61909, 7.43883, 6.90039, 8.59174, 13.08141, 4.76074, 7.83658, 5.80698, 8.25236, 10.43229, 13.10851, 8.41998, 12.83291, 5.85671, 9.38664, 13.56391, 7.81565, 4.32249, 6.65966, 7.76728, 12.77046, 7.13352, 5.84978, 13.26404, 6.74597, 9.54372, 11.11065, 4.32506, 7.71047, 11.97635, 4.98058, 9.51333, 11.49475, 5.41394, 5.83394, 13.67331, 7.80328, 7.71786, 6.59594, 11.22195, 10.48587, 5.03038, 9.48507, 9.12532, 5.68371, 9.97256, 10.47317, 6.24071, 11.53414, 7.83566, 6.87352, 11.99826, 9.15239, 5.30136, 10.26749, 7.82244, 8.37327, 12.05764, 9.05701, 7.27202, 11.24583, 6.78333, 7.96701, 10.9061, 11.0074, 6.38261, 8.74323, 10.99114, 5.90673, 9.38886, 6.77375, 5.43734, 8.0408, 9.01941, 8.93194, 11.50743, 10.20782, 6.94638, 10.06563, 6.13012, 6.11424, 7.64384, 10.17948, 7.39906, 8.66612, 12.08813, 5.61128, 7.95116, 6.50838, 8.3256, 9.9499, 12.10197, 8.55998, 11.96903, 6.53541, 9.20607, 12.45816, 7.86555, 5.32483, 7.1517, 7.81682, 7.85187, 9.41513, 5.21331, 10.33643, 11.23353, 10.34606, 6.80336, 6.39751, 10.28952, 9.71715, 9.39699, 11.83748, 10.53471, 11.69588, 7.93261, 9.58832, 10.99279, 5.96841, 8.36392, 7.5191, 11.82572, 6.85458, 7.28497, 5.92782, 6.45031, 6.11252, 7.86434, 9.21119, 9.85426, 5.2564, 10.66641, 10.06735, 11.07795, 7.84564, 7.99555, 5.23669, 11.08128, 11.24027, 9.12714, 8.02003, 6.42153, 11.04112, 7.04371, 5.70907, 9.06114, 9.69588, 7.98607, 11.77423, 10.74894, 10.95002, 6.76181, 7.24021, 6.17618, 6.70527, 9.21558, 7.5169, 5.25829, 11.94305, 10.06245, 9.11343, 10.07085, 8.6794, 5.25604, 8.41622, 5.24933, 9.05914, 11.68751, 9.34333, 10.33647, 9.02765, 5.68785, 10.29817, 10.68817, 7.27888, 11.03629, 11.58241, 9.78319, 6.76481, 8.59959, 5.71388, 6.71295, 9.59968, 6.39862, 5.97041, 12.20298, 9.35015, 7.95803, 11.7027, 7.95139, 10.33249, 10.34971, 6.08991, 10.32742, 11.25425, 8.6545, 5.98435, 9.1763, 5.23342, 7.90632, 11.93381, 7.39977, 6.52636, 12.27324, 7.08558, 9.22176, 10.69159, 5.32772, 7.86007, 11.3518, 5.82164, 9.21205, 10.98859, 6.11074, 6.52474, 12.5849, 7.87176, 7.87941]]},
 "stress": {"__ndarray__": [[6], "float64", [-0.001053984921560528, -0.0011221671672516768, -0.0012943017474344113, -5.1111718231858e-05, -0.00020936518211862802, 0.00015365971317011994]]},
 "unique_id": "3ef98204cf8b19c19811ac9acf91cf9b",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}