{"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": 20.636165889806378,
 "energy": -607.56909754,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.005588, -0.003681, 0.000184, 0.00305, 0.001204, -0.004693, -0.00584, 0.004802, 0.000988, 0.001598, 0.007586, -0.005389, 0.004638, 0.004726, 0.000897, -0.006806, -0.005227, 0.003979, -0.004591, 0.005432, -0.007558, -0.002389, -0.000355, 0.006617, -0.002706, 0.000229, 0.000356, 0.002027, 0.000595, -0.001143, -0.000547, 7.7e-05, 0.000518, 0.003113, 0.001057, 0.002409, -0.003113, -0.001057, -0.002409, -0.002027, -0.000595, 0.001143, 0.000547, -7.7e-05, -0.000518, 0.002706, -0.000229, -0.000356, 0.002389, 0.000355, -0.006617, 0.004591, -0.005432, 0.007558, 0.006806, 0.005227, -0.003979, -0.004638, -0.004726, -0.000897, -0.001598, -0.007586, 0.005389, 0.00584, -0.004802, -0.000988, 0.005588, 0.003681, -0.000184, -0.00305, -0.001204, 0.004693, -0.004154, 0.001671, -0.003052, 0.009423, -0.013124, -0.001533, -0.003864, -0.007235, -0.002616, 0.009107, 0.001083, 0.006381, -0.001257, 0.003156, -0.006615, 0.003779, -0.00412, -0.003021, 0.004446, -0.001248, 0.005802, -0.00678, -0.004519, 0.002805, 0.001242, -0.012105, 0.006494, 0.010064, -0.00439, 0.001582, 0.000959, 0.001097, 0.004962, 0.001667, -0.003834, 0.001958, -0.002771, 0.000299, -0.007147, 0.007589, -0.002348, 0.00134, 0.002874, 0.009383, -0.002111, -0.006415, -0.007248, -0.006761, 0.004094, 0.007435, 0.004152, -0.002331, -0.003131, 0.002439, 0.008476, 0.002923, 0.005303, -0.003257, -0.006037, 0.005098, 0.004734, 0.004977, 0.001904, -0.003436, -0.000678, 0.005475, -0.001946, -0.007145, -0.001292, 0.000119, -0.007428, -0.009099, -0.005832, -0.003502, 0.004862, -0.005442, -0.003044, 0.008266, 0.003256, -0.000718, 0.004117, -0.002781, 0.002073, -0.000742, -0.001976, -0.005073, 0.003479, -0.00265, 0.000855, 0.004518, 0.002781, -0.002073, 0.000742, 0.001976, 0.005073, -0.003479, 0.005832, 0.003502, -0.004862, 0.00265, -0.000855, -0.004518, -0.003256, 0.000718, -0.004117, 0.005442, 0.003044, -0.008266, 0.003436, 0.000678, -0.005475, -0.000119, 0.007428, 0.009099, 0.001946, 0.007145, 0.001292, 0.002331, 0.003131, -0.002439, -0.004734, -0.004977, -0.001904, 0.006415, 0.007248, 0.006761, 0.003257, 0.006037, -0.005098, -0.004094, -0.007435, -0.004152, -0.008476, -0.002923, -0.005303, -0.007589, 0.002348, -0.00134, -0.002874, -0.009383, 0.002111, 0.002771, -0.000299, 0.007147, -0.001242, 0.012105, -0.006494, -0.001667, 0.003834, -0.001958, -0.000959, -0.001097, -0.004962, 0.00678, 0.004519, -0.002805, -0.010064, 0.00439, -0.001582, -0.004446, 0.001248, -0.005802, 0.003864, 0.007235, 0.002616, -0.003779, 0.00412, 0.003021, 0.001257, -0.003156, 0.006615, -0.009107, -0.001083, -0.006381, 0.004154, -0.001671, 0.003052, -0.009423, 0.013124, 0.001533]]},
 "free_energy": -607.59457236,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.201279595263685,
 "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", [7.27659, 13.12947, 12.6512, 5.23047, 10.91907, 11.00873, 7.62691, 14.18083, 10.58636, 5.48456, 12.03307, 9.06356, 7.81855, 13.68842, 7.57276, 10.2701, 14.32976, 12.56207, 7.33986, 11.74771, 6.34496, 9.28308, 11.70556, 14.47818, 12.37637, 13.52129, 12.55804, 11.48594, 10.91596, 14.60211, 11.07214, 13.3716, 6.5191, 9.45016, 8.41671, 14.7536, 10.54984, 11.58329, 5.2464, 8.51406, 9.08404, 5.39789, 8.92786, 6.6284, 13.4809, 7.62363, 6.47871, 7.44196, 10.71692, 8.29444, 5.52182, 12.66014, 8.25229, 13.65504, 9.7299, 5.67024, 7.43793, 12.18145, 6.31158, 12.42724, 14.51544, 7.96693, 10.93644, 12.37309, 5.81917, 9.41364, 12.72341, 6.87053, 7.3488, 14.76953, 9.08093, 8.99127, 7.88919, 12.48302, 11.97632, 6.27788, 10.76096, 10.68017, 7.2489, 11.14627, 11.79089, 7.65877, 12.46082, 9.39739, 8.13644, 13.1821, 10.62295, 6.46125, 11.56728, 9.33826, 9.62743, 13.34396, 10.65319, 8.28202, 12.79152, 8.05155, 9.31316, 12.30547, 12.47415, 7.72239, 10.01935, 12.44483, 7.14206, 10.75133, 8.26349, 6.55812, 9.25427, 10.60564, 10.27729, 13.35427, 12.01848, 7.95209, 11.51153, 7.25437, 7.22169, 8.81866, 11.78415, 8.87471, 9.96894, 13.24101, 7.22831, 9.35258, 8.25796, 9.60515, 11.25318, 13.50351, 9.7572, 12.97211, 8.20881, 10.32171, 13.27713, 9.43741, 6.84777, 8.57721, 9.43349, 9.12103, 10.72278, 6.74176, 11.75385, 12.80427, 11.98521, 7.99478, 7.67056, 11.82498, 11.06255, 10.74996, 13.58127, 11.75032, 12.98045, 9.412, 10.82892, 12.54146, 7.21286, 9.56581, 8.69695, 13.67891, 8.08185, 8.60708, 7.46059, 7.63147, 7.39273, 9.40646, 10.43419, 11.30305, 6.32109, 11.91815, 11.39292, 12.53941, 8.93745, 9.25004, 6.41873, 12.36853, 12.60727, 10.59354, 9.17108, 7.45854, 12.78714, 8.24968, 7.01955, 10.588, 10.87897, 9.27722, 13.25824, 12.00522, 12.32944, 8.17502, 8.24615, 7.19573, 8.01479, 10.39485, 8.74682, 6.49649, 13.15223, 11.42279, 10.56651, 11.12529, 10.03106, 6.75899, 9.67829, 6.72287, 10.56259, 12.77169, 10.64742, 11.74204, 10.2428, 7.02789, 11.79119, 12.04791, 8.48847, 12.74563, 12.77831, 11.18134, 8.21585, 9.72271, 6.64573, 7.98152, 10.68684, 7.69453, 7.52585, 13.44188, 10.74573, 9.39436, 12.85794, 9.24867, 11.73651, 11.71798, 7.20848, 11.94845, 12.27761, 9.98065, 7.55517, 10.37257, 6.65604, 9.34681, 12.7511, 8.85373, 8.20911, 13.53875, 8.43272, 10.66174, 11.86356, 6.8179, 9.37705, 12.34123, 7.53918, 10.60261, 12.11081, 7.51698, 8.02368, 13.72212, 9.23904, 9.31983]]},
 "stress": {"__ndarray__": [[6], "float64", [0.000107784621094878, 0.0001125156850122975, 0.00011916289223136317, -1.3631455930929033e-05, 2.9647168347945474e-06, -2.3549213931957535e-05]]},
 "unique_id": "4958ee624228c6000532830d186f2bc3",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}