{"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": 20.636160989121922,
 "energy": -617.38557769,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.002454, 0.000114, -0.001858, -0.00126, -0.000991, 0.000938, -0.003428, -0.000346, 0.002304, -0.000912, 0.00243, 0.001921, 0.002302, 0.004814, 0.001785, 0.001055, 0.002829, -0.005075, 0.003751, 0.000917, 0.001861, -0.000597, 0.001025, -0.002953, 0.004115, -0.005805, 0.004346, 0.002458, 0.000252, 0.001545, -0.003338, -0.000401, 0.004274, 0.000442, 0.003705, 0.004166, -0.001178, 0.002824, -0.005147, -0.00137, -0.003978, 0.000476, 0.003744, 0.002565, 0.003249, -0.001191, -0.002752, 0.003949, -9.7e-05, -0.00209, 0.000373, 0.002899, -0.000607, 0.001521, 0.003813, -0.003296, -0.001991, 0.000891, -0.000698, -0.001035, 0.002134, -0.002395, -0.001895, 0.000983, -0.002469, 0.004525, -0.003609, -0.004562, -0.000142, 0.001005, -0.004265, 0.003728, 0.000765, -0.007696, 0.002481, -0.003909, 0.001436, 0.002005, 1.4e-05, 0.000172, -0.004964, -0.004472, -0.003023, -0.0019, -0.002064, -0.002599, 0.004462, 0.005103, -0.003712, 0.00475, 0.010309, -0.000388, -0.000878, -0.000524, 0.000291, -0.002949, -0.004755, 0.015164, -0.009543, 0.005046, 0.006894, -0.009301, -0.002692, 0.016279, -0.000741, 0.008979, 0.003709, 0.000173, 0.004029, -0.005234, -0.003875, 0.005386, -0.004759, 0.000742, 0.006806, 0.000256, -0.004726, 0.000721, 0.0044, 0.008964, -0.008629, -0.020637, -0.006157, 0.000955, -0.013564, 0.02171, 0.001854, -0.000312, -0.005892, 0.001598, 0.001701, 0.006387, -0.008494, -0.002432, -0.003607, 0.002163, 0.001085, -0.00678, 0.004994, 0.002336, 0.000116, 0.001499, -0.00706, -0.000834, -0.001883, -0.002083, 0.004199, 0.00386, -0.001671, 0.003851, -9.8e-05, -0.004441, -0.001541, -0.000837, 0.00214, 0.00063, -0.009469, 0.002249, -0.001268, -0.002607, 0.004397, 0.00051, 0.003756, -0.001915, -0.006203, -0.008567, -0.002778, -0.008346, 0.013727, 0.002649, 0.009737, 0.004401, 0.00263, 0.00163, -0.0088, 0.004418, -0.005298, -0.004157, 0.005822, 0.009222, -0.003964, 0.002512, 0.004614, 0.000147, -0.000961, -0.003771, -0.002431, 0.003616, -0.005283, -0.002983, 0.007091, 0.012991, -0.009065, -0.005881, -0.003841, -0.003914, 0.001347, 0.009604, -0.008624, 0.000232, 0.003486, -0.009481, -0.002663, -0.005465, -0.005631, 0.001662, 0.003256, 0.007598, 0.007531, -0.005497, 0.012455, 0.004509, -0.009334, 0.009541, 0.007236, -0.001762, -0.005024, -0.005877, -0.001351, 0.004301, 0.002621, -0.003556, -0.003471, -0.009259, -0.00123, -0.002535, -0.004099, 0.003157, 0.010963, 0.001168, -0.007193, 0.001109, 0.00172, -0.009454, -0.00181, -0.001871, 3.3e-05, -0.006063, 0.009034, 0.013076, -0.003092, -0.002188, -0.006165, 0.002286, 0.000699, 0.001233, -0.005922, 0.001133, -0.000816, 0.001445, 0.000143, -0.004362]]},
 "free_energy": -617.52458608,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.58510412217955,
 "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", [7.39731, 13.31396, 12.496, 5.14122, 10.82896, 10.80809, 6.09643, 11.52386, 12.71854, 5.66165, 12.0542, 9.02574, 10.15954, 14.21154, 12.4966, 7.19032, 12.05615, 6.55493, 8.25411, 10.16497, 14.61321, 5.5055, 8.16962, 9.11276, 8.55106, 10.83189, 5.29133, 12.26414, 13.52546, 12.71938, 11.31512, 11.15901, 14.61279, 12.30469, 14.21162, 9.02657, 11.0676, 13.31393, 6.55581, 9.41057, 8.22612, 14.646, 7.19666, 8.16784, 6.37416, 6.72822, 6.27986, 9.27715, 10.68792, 11.52337, 5.29287, 13.44503, 13.52497, 10.80928, 11.5156, 8.91053, 14.64699, 7.8923, 6.27859, 7.39536, 14.71344, 11.15959, 9.11556, 13.34525, 10.16411, 6.37587, 13.89287, 8.22734, 7.39815, 14.83351, 8.91163, 9.28082, 7.89204, 12.46126, 11.9945, 6.23411, 10.73658, 10.67078, 6.91749, 11.23295, 12.03831, 7.74752, 12.42669, 9.43755, 8.33216, 12.85134, 10.60641, 6.5644, 11.49768, 9.3397, 9.67556, 13.28805, 10.60689, 8.49058, 12.42616, 8.23677, 9.27485, 12.23279, 12.61453, 7.58988, 9.99412, 12.56998, 7.05865, 10.62385, 8.18013, 6.60575, 9.27912, 10.5965, 10.26001, 13.23106, 11.99517, 7.87448, 11.49856, 7.22136, 7.32681, 8.91533, 11.73033, 8.67348, 9.99217, 13.59937, 7.0936, 9.28908, 8.20133, 9.63164, 11.13223, 13.28159, 9.79778, 12.85001, 8.237, 10.39853, 13.28679, 9.43794, 6.55242, 8.4525, 9.35282, 8.91679, 10.73752, 6.33036, 11.76961, 12.80865, 12.03869, 8.1166, 7.72807, 11.76564, 11.07643, 10.77261, 13.59931, 11.90136, 13.23074, 9.34017, 10.84168, 12.4608, 7.22238, 9.575, 8.693, 13.66163, 7.88042, 8.45126, 7.20253, 7.42341, 7.13121, 9.35387, 10.44554, 11.23299, 6.33161, 11.95202, 11.41059, 12.5694, 9.0165, 9.2792, 6.69488, 12.61482, 12.80835, 10.67148, 9.27054, 7.6966, 12.5823, 8.27088, 6.97087, 10.58104, 11.10866, 9.19135, 13.66223, 12.01596, 12.23354, 8.1811, 8.27095, 7.13059, 7.98258, 10.35281, 8.91511, 6.83466, 13.16969, 11.41055, 10.59768, 11.22077, 9.99438, 6.69622, 9.6142, 6.5176, 10.58688, 12.79909, 10.69198, 11.73086, 10.24278, 6.97386, 11.84459, 11.93986, 8.56352, 12.58328, 12.77159, 11.13246, 8.20299, 9.74749, 6.97025, 8.19293, 10.73834, 7.72814, 7.52657, 13.69989, 10.77317, 9.35486, 12.85646, 9.26706, 11.76776, 11.57753, 7.40779, 11.84571, 12.62596, 9.99207, 7.2048, 10.35255, 6.51741, 9.39286, 13.08536, 8.69395, 7.98513, 13.17717, 8.56387, 10.583, 11.75837, 6.97446, 9.39454, 12.35584, 7.40792, 10.58863, 11.98395, 7.697, 8.19525, 13.77063, 9.19224, 9.35663]]},
 "stress": {"__ndarray__": [[6], "float64", [8.540256936946062e-05, 0.00010064433465486753, 9.457758778450901e-05, -7.73947131609524e-06, -4.993207300706607e-07, 7.308807186409295e-06]]},
 "unique_id": "dd81d43f7862a3feca21b87877d4ce1d",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}