{"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": 20.63617564812754,
 "energy": -587.04714106,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.000218, -0.002179, -0.002388, -0.00403, 0.003226, -0.005686, 0.002154, -0.004904, -0.003974, 0.003655, -0.000292, -0.004674, 9.5e-05, 0.000746, -0.002152, -0.000712, 0.00154, -0.005207, -0.000707, -0.004422, -0.001332, -0.002735, -0.00475, 0.004909, 0.002858, -0.001128, -0.005262, -0.002858, 0.001128, 0.005262, 0.002735, 0.00475, -0.004909, 0.000707, 0.004422, 0.001332, 0.000712, -0.00154, 0.005207, -9.5e-05, -0.000746, 0.002152, -0.003655, 0.000292, 0.004674, -0.002154, 0.004904, 0.003974, -0.000218, 0.002179, 0.002388, 0.00403, -0.003226, 0.005686, -0.000707, 0.01469, -0.00426, 0.016692, 0.000457, -0.003056, 0.003592, -0.004152, 0.000427, 0.011073, -0.002025, 0.005919, 0.001625, 0.001877, -0.003958, -0.001949, -0.004182, -0.006175, -0.010149, -0.000113, -0.002459, -0.004021, -0.020125, 0.001514, -0.000874, -0.000407, -0.015617, -0.003312, 0.005767, -0.003534, -0.00229, 0.002648, -0.005691, 0.01318, -0.003395, 0.000598, 0.003524, -0.011136, -0.005525, 0.005755, 0.003524, 0.007935, -0.00713, 0.00545, 0.003006, -0.005048, 0.003215, -0.008262, 0.00525, 0.000376, 0.000967, 0.007429, -0.001128, -0.009902, 0.013457, -0.006719, 0.006031, 0.008454, 0.001792, -0.005177, 0.009055, 0.01578, -0.006826, 0.005561, -0.003326, -0.004729, 0.001644, -0.000928, 4.7e-05, -0.004762, -0.007162, -0.008495, 0.004892, 0.000437, -0.009835, 0.005225, -0.00439, -0.001479, 0.000152, -0.011989, 0.00661, -0.000102, -0.000614, 0.00189, 0.007077, 0.00944, -0.013562, 0.008431, 0.001797, 0.008279, 0.000102, 0.000614, -0.00189, -0.007077, -0.00944, 0.013562, -0.004892, -0.000437, 0.009835, -0.008431, -0.001797, -0.008279, -0.000152, 0.011989, -0.00661, -0.005225, 0.00439, 0.001479, -0.005561, 0.003326, 0.004729, 0.004762, 0.007162, 0.008495, -0.001644, 0.000928, -4.7e-05, -0.007429, 0.001128, 0.009902, -0.009055, -0.01578, 0.006826, 0.005048, -0.003215, 0.008262, -0.008454, -0.001792, 0.005177, -0.00525, -0.000376, -0.000967, -0.013457, 0.006719, -0.006031, -0.005755, -0.003524, -0.007935, 0.00713, -0.00545, -0.003006, -0.003524, 0.011136, 0.005525, 0.000874, 0.000407, 0.015617, -0.01318, 0.003395, -0.000598, 0.00229, -0.002648, 0.005691, 0.004021, 0.020125, -0.001514, 0.003312, -0.005767, 0.003534, 0.010149, 0.000113, 0.002459, -0.003592, 0.004152, -0.000427, 0.001949, 0.004182, 0.006175, -0.001625, -0.001877, 0.003958, -0.011073, 0.002025, -0.005919, 0.000707, -0.01469, 0.00426, -0.016692, -0.000457, 0.003056]]},
 "free_energy": -587.3677907,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 24.993156951564906,
 "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", [7.26858, 13.15531, 12.66415, 5.21073, 10.99254, 10.77156, 7.56834, 14.25576, 10.71734, 6.67789, 10.07692, 13.67132, 10.37259, 14.1968, 12.59963, 6.04055, 8.29802, 12.43829, 10.38859, 14.86014, 9.1257, 12.53892, 14.17826, 9.20474, 10.99439, 13.20858, 6.36229, 9.00561, 6.79142, 13.63771, 7.46108, 5.82174, 10.79526, 9.61141, 5.13986, 10.8743, 13.95945, 11.70198, 7.56171, 9.62741, 5.8032, 7.40037, 13.32211, 9.92308, 6.32868, 12.43166, 5.74424, 9.28266, 12.73142, 6.84469, 7.33585, 14.78927, 9.00746, 9.22844, 7.85365, 12.4831, 11.99177, 6.30237, 10.78863, 10.651, 7.12697, 11.17832, 11.85143, 7.69766, 12.54388, 9.43778, 8.12807, 13.29376, 10.65583, 6.85586, 11.46214, 9.41361, 9.6199, 13.54023, 10.62889, 8.49855, 12.55341, 8.21532, 9.24377, 12.30899, 12.57796, 7.35433, 10.01237, 12.78775, 7.08288, 10.72104, 8.17202, 6.58156, 9.28127, 10.60245, 10.26123, 13.28163, 11.96852, 8.06349, 11.41293, 7.40269, 6.95861, 8.71771, 11.96175, 8.77381, 9.97941, 13.2502, 7.04965, 9.32554, 8.17491, 9.61008, 11.17718, 13.2259, 9.76552, 13.03145, 8.17704, 10.38049, 13.76772, 9.3554, 6.87434, 8.62764, 9.45251, 9.02394, 10.69062, 6.69334, 11.59031, 12.58575, 11.76921, 7.99614, 7.63751, 11.86476, 11.00532, 10.73469, 13.30732, 11.89011, 13.2808, 9.33165, 10.82457, 12.4958, 7.20548, 9.57922, 8.87144, 13.302, 8.03309, 8.59245, 7.44852, 7.72473, 7.43965, 9.41764, 10.42078, 11.12856, 6.698, 11.96691, 11.40755, 12.55148, 8.99468, 9.26531, 6.69268, 12.27527, 12.56035, 10.58236, 9.17543, 7.5042, 12.79452, 8.10989, 6.7192, 10.66835, 10.97606, 9.30938, 13.30666, 12.00386, 12.36249, 8.13524, 8.40969, 7.41425, 8.23079, 10.38992, 8.82282, 6.7741, 13.12566, 11.37236, 10.54749, 11.22619, 10.02059, 6.7498, 9.61951, 6.23228, 10.6446, 12.95035, 10.67446, 11.82509, 10.23448, 6.96855, 11.82296, 11.93651, 8.58707, 12.59731, 13.04139, 11.28229, 8.03825, 9.73877, 6.71837, 8.03148, 10.75623, 7.69101, 7.42204, 13.41844, 10.71873, 9.39755, 12.91712, 9.27896, 11.82798, 11.50145, 7.44659, 11.78468, 12.64567, 9.98763, 7.21225, 10.3801, 6.45977, 9.37111, 12.87303, 8.82168, 8.14857, 13.14414, 8.53786, 10.58639, 11.87193, 6.70624, 9.34417, 12.30234, 7.45612, 10.56222, 12.14635, 7.5169, 8.00823, 13.69763, 9.21137, 9.349]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00013515363861187608, 0.000157292271481384, 0.00011684729234566046, -4.275433751230032e-06, -2.0222489567861755e-05, -1.0953848515925118e-05]]},
 "unique_id": "1c3aa797eb50ad863a0ed2252afb0cf3",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}