{"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": 20.63617305595754,
 "energy": -592.83970596,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.001241, -0.000846, -3e-06, -0.001624, -0.000882, 0.000978, 0.000235, -0.000755, 0.00015, 0.000513, -0.001804, -0.001522, 0.000394, -0.001781, -0.000333, -0.000248, -0.001881, -0.002078, 0.001321, 0.001156, 0.003142, -0.00024, 0.000516, -6.6e-05, -0.000597, 0.001113, -0.002521, 0.000549, 0.000443, 0.000543, -0.001018, -0.002395, -0.000327, 0.001036, -0.002589, 0.001987, -0.001204, -0.002658, 0.000145, 0.000735, 0.001727, -0.002618, 0.002052, 0.000484, -0.002689, 0.000283, -0.002894, 3.9e-05, 0.00123, 0.000669, 0.001262, 0.001719, 0.000618, 0.004025, 0.001912, -0.002968, -0.000654, 0.002623, -0.001522, -0.004313, 0.001276, -0.003362, -0.00228, 0.003478, -0.001088, 0.000181, 0.004577, -0.002465, -0.00319, 0.000112, -0.004555, -0.001381, -0.004392, 0.001196, -2.6e-05, -0.00378, 0.001496, 0.000212, -0.005323, 0.003636, -0.000141, 0.003205, 0.00348, 0.002663, -0.004092, -0.002527, -0.000459, -0.003619, 0.002039, -0.0015, 0.003903, -0.001538, -0.005876, 0.002711, -0.00545, 0.001554, 0.004602, -0.007038, -0.003204, -0.002067, -0.0022, 0.000696, 0.000408, 0.004672, -0.003941, 0.003164, 0.003238, 0.001388, -0.000938, -1.8e-05, -0.003593, 0.003656, 0.0017, 0.000605, -0.002857, -0.007683, 0.001816, -0.007888, 0.00403, -0.000835, 0.003636, 0.000275, -0.003491, 0.003687, 0.00427, -0.000588, 0.002877, 0.001765, 0.000997, 0.001957, 0.00173, 0.000255, -0.000545, 0.000993, -0.00327, 6.4e-05, -0.002222, -0.000584, -0.000131, -0.000445, -0.002071, 0.002139, -0.003688, -0.000517, 0.000503, 3.2e-05, 0.001925, -0.003033, 0.003102, 0.000116, 0.00197, -0.00138, 0.001795, -0.006646, 0.000989, 0.001864, -0.001506, 0.000759, 0.002038, -0.004462, -0.00214, -0.00034, 0.002049, -0.002261, -0.003241, -3.7e-05, 0.003122, 7.3e-05, 0.005836, -0.002869, 0.000803, -0.001637, -0.001564, 0.004844, -0.000587, -0.001009, 0.000639, 0.002667, -0.006135, 0.002029, 0.006017, 0.002526, 0.000249, -0.000548, 0.002016, -0.000668, 0.00215, 0.002021, 0.000474, -0.001205, 0.003527, 0.002577, -0.000767, -0.002983, 4.4e-05, -0.005692, 0.003774, 0.001873, 0.006899, 0.00583, -0.002603, 0.001243, -0.001123, 0.006918, 0.002396, 0.003782, -0.003686, -0.001941, -0.001509, 0.000541, -0.004076, -0.003118, 0.001068, 0.003411, -0.001979, 0.008548, -0.00604, 0.003299, 0.003413, -0.004315, 0.00236, 0.001153, -0.002575, 0.003313, 0.00142, -0.001239, 0.007298, -0.003283, -0.004094, 0.000604, 0.003, -0.005472, 0.005724, -0.002154]]},
 "free_energy": -592.95170719,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.157934582151267,
 "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", [7.37873, 13.23112, 12.69647, 5.17752, 10.80827, 10.81623, 6.11813, 11.4942, 12.69819, 6.82566, 13.67161, 8.98988, 7.73971, 14.33586, 10.81415, 5.52581, 11.88116, 8.99057, 11.35819, 10.99181, 14.62604, 12.40554, 14.20953, 9.14835, 11.04401, 13.21757, 6.42668, 9.47732, 8.403, 14.62745, 7.26181, 8.01073, 6.42788, 6.74084, 6.41156, 9.14992, 10.48127, 8.22864, 5.30266, 14.54195, 12.06211, 10.72757, 11.83217, 10.0905, 5.30287, 9.44407, 5.04312, 10.72914, 14.16909, 10.91198, 12.68424, 10.42175, 5.75447, 12.68521, 7.86608, 12.52612, 12.00645, 6.26549, 10.7584, 10.66066, 6.93856, 11.24867, 12.00742, 7.45182, 12.82815, 9.31713, 8.12369, 13.31645, 10.65884, 6.52155, 11.54678, 9.31793, 9.63879, 13.40123, 10.57522, 8.45797, 12.54225, 8.21453, 9.26404, 12.25165, 12.53551, 7.63225, 10.00417, 12.53636, 7.10512, 10.67867, 8.21539, 6.65454, 9.2919, 10.57705, 10.22581, 12.88728, 11.73876, 8.12888, 11.35781, 7.54293, 7.32552, 8.89289, 11.73978, 8.79897, 10.0038, 13.3073, 7.07165, 9.28083, 8.1922, 9.62595, 11.14238, 13.30617, 9.77694, 13.00658, 8.1911, 10.3754, 13.44279, 9.38721, 6.8431, 8.57843, 9.38893, 9.13307, 10.6286, 6.79685, 11.59808, 12.42609, 11.73017, 8.18824, 7.7305, 11.73095, 11.09025, 10.76671, 13.56949, 11.89596, 13.2417, 9.35497, 10.82413, 12.45991, 7.21202, 9.60853, 8.72754, 13.57081, 7.91453, 8.4541, 7.21304, 7.50449, 7.19469, 9.35663, 10.41777, 11.14098, 6.61844, 12.03222, 11.42612, 12.60107, 9.04315, 9.24818, 6.61814, 12.41201, 12.59456, 10.60966, 9.2727, 7.62797, 12.60233, 8.27981, 6.90383, 10.61085, 11.02619, 9.25466, 13.3546, 12.02251, 12.31223, 8.14835, 8.42693, 7.36061, 8.14955, 10.42403, 8.68928, 6.30466, 13.54906, 11.58387, 10.65563, 11.37644, 10.00169, 6.30478, 9.59184, 6.13514, 10.65683, 13.28611, 10.77454, 12.03544, 10.28003, 6.63689, 12.03657, 11.92383, 8.60293, 12.56929, 12.76296, 11.17328, 8.19177, 9.73905, 7.00867, 8.19266, 10.7544, 7.68916, 7.38536, 13.443, 10.73416, 9.41219, 12.97673, 9.31073, 11.838, 11.57717, 7.38222, 11.83848, 12.43074, 9.99689, 7.38499, 10.36717, 6.49846, 9.41326, 12.736, 8.90066, 8.16387, 13.12671, 8.64117, 10.64171, 11.65101, 7.00158, 9.41981, 12.26011, 7.44676, 10.6422, 11.89104, 7.73851, 8.16419, 13.36277, 9.35733, 9.4192]]},
 "stress": {"__ndarray__": [[6], "float64", [9.257406335510049e-05, 8.7680720200408e-05, 7.717626034154649e-05, 1.8362519848348546e-05, -2.6407825111612068e-05, -2.517200630468718e-05]]},
 "unique_id": "5f6daec6d84e98a56d4908123e1d285f",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}