{"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": 20.636156893858285,
 "energy": -615.87498951,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.003332, -0.004762, -0.003846, 0.006739, -0.002234, -0.000835, 0.005094, -0.002382, -0.003275, 0.001512, -0.002472, 0.001085, 0.005094, -0.007019, -0.001652, 0.007394, -0.004308, 0.000819, 0.002613, -0.005658, -0.000851, 0.003582, -0.001501, 0.002775, 0.002604, -0.004688, -0.003473, 0.004855, 5.2e-05, -0.001879, 0.004268, -0.003986, 0.001853, 0.004644, -0.001078, -0.003764, 5.6e-05, 0.000724, 0.003236, -0.001977, -0.001454, -0.000639, -0.00094, -0.001126, 0.001425, 0.001263, 0.001839, 0.000522, -7.5e-05, 0.00323, -6.5e-05, 0.001465, 0.000239, -0.002222, -0.010641, -0.00393, -0.001497, -0.001526, 0.011823, -0.008126, 0.002585, 0.014693, -0.003395, -0.004614, -0.00142, 0.013772, -0.011191, -0.003136, -0.00764, 0.00058, 0.007908, 0.011255, 0.0022, -0.001199, 0.004263, -0.001583, -0.008707, 0.000891, 0.002993, -0.006485, 0.00416, 0.003188, 0.000315, -0.002398, 0.004419, 0.001908, -0.003341, 9.8e-05, -0.004253, -0.004155, 0.004691, 0.001135, -0.00375, 0.001848, 0.000393, -0.002509, 0.003401, 0.000445, -0.000887, 0.001744, -0.002869, 0.000937, -0.003432, -0.000785, -0.001365, 0.003568, -0.005682, 0.002451, 0.008244, -0.000705, 0.000785, 0.000288, -0.000728, -0.004575, -0.012003, 0.009064, -0.001273, -0.002481, 0.006367, 0.008744, -0.00708, -0.003671, -0.005305, -0.005293, 0.001332, 0.010281, -0.003384, 0.009822, -0.003155, -0.001295, 0.009197, -0.005293, -0.011278, -0.001554, -0.005614, -0.013035, 0.010216, 0.003076, -0.01556, 0.00898, 0.001402, -0.005343, -0.00907, 0.00229, -0.005686, -0.008534, 0.004048, -0.003003, -0.001196, -0.002607, 0.001635, 0.005192, 0.006106, 0.007061, 0.00264, 0.001678, -0.003674, -0.002958, 0.003239, 0.004996, 0.001027, 9.3e-05, -0.00313, -0.00604, -0.005674, 0.005461, 0.00443, -0.000954, 0.004487, 0.001154, -0.003024, 0.00426, 0.002028, 0.000892, -0.007282, -0.002752, -0.004362, 0.001228, -0.003634, 0.006845, 0.002378, -0.0005, -0.002886, 0.006249, -0.002115, -0.001404, 0.003939, -0.000823, 0.000952, 0.00418, -0.001356, -0.000148, 0.001871, -0.007191, 0.003686, 0.000784, -0.011058, -0.002479, 0.009818, -0.001183, 0.004193, 0.008939, -0.001633, -0.006616, 0.000526, -0.003926, -0.003417, 0.001157, -0.001451, -0.00341, 0.001866, 0.00399, 0.001612, 0.000775, 0.002106, 7e-06, -0.003853, 0.006793, 0.002573, -0.004238, -0.002714, -0.001289, -0.006616, 0.005171, -0.000614, -0.003158, 0.007949, -0.00225, -0.003719, -0.002698, 0.003807, -0.001674, 0.005209, 0.00068, 0.001664, 0.007273, 0.00183, -0.004451, -0.000966, 0.003886, -3.8e-05, 0.004449, -0.002588, 0.000566, 0.004611, 0.005129, -0.001844, -0.00267, 0.006735, -0.003111, -0.001443, -0.00351]]},
 "free_energy": -616.06265662,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.15995725762067,
 "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", [7.29192, 13.22138, 12.60309, 5.20961, 10.93485, 10.82686, 6.09897, 11.58081, 12.60347, 6.76718, 13.63875, 9.10099, 7.63117, 14.26613, 10.82586, 5.53921, 11.94867, 9.10093, 9.686, 14.70238, 11.06123, 7.79632, 13.33064, 7.27992, 9.2315, 13.3038, 13.43789, 6.6188, 9.70973, 13.43897, 6.15149, 11.06726, 7.28012, 5.429, 8.84506, 11.05888, 8.3692, 9.82198, 14.66937, 5.98591, 8.93141, 7.30832, 9.66513, 11.60534, 14.66933, 9.7768, 14.14784, 7.30951, 10.71395, 14.82976, 9.18482, 5.62798, 7.82875, 9.18313, 10.53485, 11.55, 5.38433, 12.76459, 11.9735, 13.5319, 8.69265, 9.01319, 5.38209, 13.27511, 13.54245, 10.86469, 8.97567, 6.76119, 13.53078, 7.64392, 5.79217, 10.86277, 7.87088, 12.51066, 12.00031, 6.27816, 10.75849, 10.65197, 6.95334, 11.24876, 12.00068, 7.46409, 12.82167, 9.32464, 8.12875, 13.30412, 10.65079, 6.53165, 11.53822, 9.32502, 9.66142, 13.67698, 10.6516, 8.34511, 12.72199, 8.02036, 9.26144, 12.44681, 12.74166, 7.44282, 9.94573, 12.74249, 6.90017, 10.73253, 8.01996, 6.39682, 9.18601, 10.65043, 10.28934, 12.81437, 11.70964, 8.20612, 11.30334, 7.54499, 7.4102, 8.85461, 11.70955, 8.73392, 9.94436, 13.63296, 6.83446, 9.166, 7.9769, 9.66154, 11.22002, 13.6331, 9.81496, 13.26868, 7.97879, 10.48618, 13.75659, 9.32051, 6.57806, 8.37766, 9.31862, 9.07395, 10.67241, 6.75023, 11.58468, 12.49553, 11.76999, 8.11518, 7.72295, 11.76856, 11.03241, 10.67432, 13.31276, 11.78481, 12.98762, 9.37898, 10.80334, 12.27394, 7.41864, 9.67711, 8.80956, 13.3125, 8.08529, 8.53201, 7.41545, 7.71111, 7.38107, 9.3771, 10.46695, 11.20311, 6.43951, 12.15355, 11.47593, 12.74618, 9.00045, 9.18459, 6.43759, 12.56045, 12.72436, 10.62381, 9.26079, 7.4963, 12.74556, 8.20047, 6.7254, 10.6221, 10.98616, 9.28321, 13.18826, 11.93159, 12.19254, 8.23921, 8.51177, 7.48493, 8.23678, 10.46738, 8.7952, 6.66179, 13.26033, 11.3588, 10.59824, 11.29106, 9.92879, 6.6623, 9.71516, 6.48232, 10.59789, 13.03133, 10.65843, 11.79016, 10.3107, 6.91451, 11.79027, 12.02525, 8.52898, 12.53242, 12.85732, 11.08845, 8.17734, 9.84781, 6.94607, 8.17614, 10.82603, 7.65225, 7.40938, 13.47849, 10.65908, 9.39107, 13.01897, 9.24663, 11.79615, 11.64991, 7.36222, 11.79622, 12.48786, 9.93991, 7.41025, 10.44751, 6.49, 9.39084, 12.8947, 8.76065, 8.15123, 13.28367, 8.50999, 10.57451, 11.83776, 6.90513, 9.38445, 12.4321, 7.33731, 10.57445, 12.07299, 7.62906, 8.15083, 13.5101, 9.20845, 9.38431]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00013213274819494857, 9.860960267982959e-05, 7.085985310615264e-05, 7.56470906057051e-06, -8.176376954907069e-07, -3.421595302809203e-05]]},
 "unique_id": "cb1da45e6a6b3e64c6dbc254479b4d7a",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}