{"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": 20.63554967102776,
 "energy": -654.95335509,
 "forces": {"__ndarray__": [[96, 3], "float64", [0.012913, 0.009861, -0.00852, -0.035761, -0.030271, 0.016029, 0.006117, -0.02144, -0.014805, 0.004464, -0.03381, -0.009807, 0.007674, 0.044176, 0.006226, 0.026126, 0.001237, 0.010364, -0.02036, 0.024013, -0.009764, -0.009498, -0.001371, 0.033617, -0.000353, -0.01891, -0.00357, 0.022529, -0.00056, -0.005254, -0.00198, -0.022768, -0.00729, 0.002593, -0.032079, 0.011408, 0.028474, 0.015651, 0.009274, 0.01661, 0.021703, -0.02078, 0.019812, 0.010533, -0.010146, -0.010725, -0.011198, -0.024039, -0.020202, 0.007054, 0.009305, -0.026875, 0.005981, 0.028483, 0.032692, 0.006355, -0.010468, 0.035775, -0.032658, -0.009201, -0.009644, 0.014885, 0.001379, -0.004647, 0.01687, 0.013172, -0.007258, -0.005929, -0.016146, 0.021127, 0.014359, 0.005451, -0.016691, 0.00382, 0.026249, 0.018846, 0.002744, 0.008457, 0.023318, -0.010978, -0.035933, -0.017331, 0.028796, 0.012684, -0.017888, -0.021925, -0.020266, 0.010291, 0.023384, 0.038749, -0.014062, 0.003975, 0.010404, -0.043595, -0.003127, -0.01569, 0.027565, -0.006518, 0.015682, -0.015506, -0.016877, -0.009425, -0.019108, 0.021911, 0.003378, -0.0076, -0.000847, -0.036179, -0.002679, -0.029071, -0.042925, 0.017936, 0.008829, -0.008201, 0.035107, -0.017651, -0.03694, 0.02095, -0.004643, -0.008972, -0.001279, -0.011862, 0.009393, 0.008232, 0.016614, -0.003594, 0.007531, -0.015726, 0.024608, 0.010617, -0.017323, 0.015979, 0.024499, -0.020286, 0.02061, 0.000944, -0.001726, -0.012315, 0.02207, 0.015393, -0.022757, -0.033263, 0.012173, 0.021562, -0.024173, 0.019127, 0.019069, -0.01504, -0.040797, -0.022931, -0.00778, 0.026155, -0.026669, 0.003985, -0.011718, -0.010359, 0.015001, -0.026117, 0.02225, -0.018337, -0.010331, -0.005006, -0.03416, 0.031264, 0.036346, -0.015693, -0.006804, -0.019413, -0.014615, -0.030994, -0.025886, 0.011998, -0.015479, 0.023377, 0.036754, 0.00946, 0.010399, 0.022769, -0.003109, 0.017135, 0.009085, -0.03503, 0.012997, 0.00369, -0.005049, -0.013507, -0.008996, -0.01587, 0.015936, 0.000517, 0.006064, -0.024115, 0.008227, -0.003097, 0.015988, 0.011832, -0.005279, 0.024388, 0.048844, 0.017415, 0.005429, -0.001772, 0.021435, -0.031718, -0.001081, 0.017004, 0.002669, -0.012628, 0.009224, -0.016493, -0.042906, 0.021376, 0.022258, 0.018169, -0.00374, -0.002583, 0.049612, 0.018012, 0.004098, -0.00998, -0.00833, 0.003699, 0.009782, 0.040143, 0.016465, -0.02918, -0.004938, 0.009493, -0.038836, -0.018564, 0.003205, -0.005029, 0.025928, -0.016663, 0.005441, 0.00509, 0.006423, -0.003234, 0.010664, -0.009485, -0.009477, 0.025038, -0.013284, -0.015108, 0.015597, -0.019899, -0.000358, -0.001555, 0.01377, -0.001728, 0.02495, 0.033534, 0.000808, 0.034839, -0.021091, -0.039638, -0.0325, 0.002388, -0.02117, -0.004427, 0.008471, -0.011334, -0.039256, -0.030216, 0.011749, -0.01821, 0.037, -3.9e-05, 0.012102, -0.011482, 0.03113, 0.012916, -0.005395, -0.005917, 0.018398, 0.01978, -0.014263, 0.018162, -0.035869, -0.009393, -0.015222, 0.025875, -0.004003, -0.043578, -0.018638, -0.012032, 0.018868, 0.018782]]},
 "free_energy": -654.95335509,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.589284299491467,
 "numbers": {"__ndarray__": [[96], "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, 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__": [[96, 3], "float64", [6.79906, 13.67942, 8.99817, 7.86241, 14.23144, 10.9402, 5.31343, 11.91373, 9.38164, 8.24661, 12.90732, 7.40016, 6.51815, 9.84892, 13.34854, 5.94197, 10.98856, 7.16971, 5.58731, 8.88029, 11.09875, 10.2066, 14.17404, 12.11184, 8.35884, 9.83552, 14.69757, 9.37406, 11.94253, 14.67304, 10.28688, 14.93936, 9.01563, 5.77175, 8.31122, 8.89944, 9.02962, 11.28969, 6.04085, 12.17852, 13.17467, 12.66494, 7.29768, 6.81455, 12.82874, 11.57898, 10.81108, 14.72208, 12.65524, 14.31118, 9.39209, 10.43325, 12.85801, 6.84844, 9.97052, 8.38599, 13.95834, 7.09747, 8.0748, 6.64933, 8.57897, 9.16941, 5.30193, 7.33463, 5.69569, 10.61616, 12.64255, 13.24902, 7.30833, 10.63873, 8.06193, 5.3278, 11.75647, 10.27371, 5.27882, 9.57467, 5.14074, 11.00049, 13.90025, 11.19986, 12.5893, 10.29015, 6.61727, 12.59902, 12.02806, 7.94259, 13.15125, 13.86216, 11.32316, 7.4137, 14.04578, 8.9248, 12.69452, 10.76084, 5.32043, 9.05884, 13.63058, 8.71388, 7.33714, 14.6827, 8.07436, 10.61055, 13.13654, 6.17268, 10.98573, 12.62267, 6.74571, 7.88864, 8.07377, 12.27719, 11.82816, 6.61605, 10.73562, 10.61838, 7.21064, 11.14776, 11.77294, 7.34791, 12.80156, 9.36499, 8.15079, 13.20897, 10.62799, 6.36217, 11.56759, 9.38126, 9.68155, 13.16868, 10.3669, 8.42068, 12.38907, 8.36893, 9.22319, 12.28591, 12.55784, 7.43296, 9.99748, 12.74286, 6.64465, 10.79935, 7.99568, 6.54929, 9.23286, 10.66512, 10.22693, 13.10775, 11.79562, 8.14545, 10.92197, 7.94415, 7.56958, 8.82701, 11.7307, 8.66893, 10.09004, 13.67493, 7.34459, 9.51945, 8.26719, 9.55797, 11.39368, 13.73267, 9.82662, 12.65801, 8.80865, 10.47174, 13.90755, 9.35095, 6.75751, 8.59127, 9.33291, 9.12524, 10.55742, 6.87233, 11.62108, 12.58466, 11.90417, 7.7551, 7.37995, 12.00255, 11.07447, 10.85691, 13.74476, 12.00453, 13.4192, 9.39617, 10.78326, 12.20136, 7.67536, 9.61753, 9.03516, 13.12713, 7.92446, 8.49275, 7.25529, 7.69564, 7.41496, 9.3793, 10.61423, 10.77479, 7.25396, 11.72217, 11.15629, 12.44346, 8.97893, 9.14595, 6.32475, 12.34823, 12.55283, 10.58741, 9.0407, 8.16398, 12.05451, 7.97991, 6.59189, 10.6164, 10.95031, 9.73503, 12.74605, 12.20091, 12.5895, 8.06758, 8.42038, 7.43164, 8.2262, 10.46454, 8.61415, 6.26806, 13.13443, 11.44054, 10.5884, 11.37453, 9.94085, 6.25623, 9.50316, 6.17367, 10.63348, 13.13121, 10.74068, 11.93862, 10.12681, 7.13847, 11.63012, 11.92601, 8.68014, 12.32508, 12.96941, 11.24265, 8.06368, 9.78201, 7.02495, 8.17196, 10.71709, 7.6949, 7.443, 13.38212, 10.6777, 9.41392, 13.30143, 9.19932, 11.9345, 11.42239, 7.74715, 11.19084, 12.07424, 10.07888, 7.55763, 10.39304, 6.3167, 9.37159, 12.83196, 8.8635, 8.09678, 13.63153, 8.41254, 10.60575, 11.60683, 7.24953, 9.63293, 12.67923, 7.11596, 10.64975, 12.01226, 7.62044, 8.20473, 13.40042, 9.31552, 9.41455]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00022798360384113775, 0.00022551820773641386, 0.00023265225266729846, -1.4336746462153843e-05, 1.572860299722581e-06, -5.729705377560831e-06]]},
 "unique_id": "84f9f5c6bde3fb0bd4d0cb08309a55b0",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}