{"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": 20.635550046777393,
 "energy": -654.02925981,
 "forces": {"__ndarray__": [[96, 3], "float64", [0.003659, -0.001287, 0.003793, 0.00139, -0.005817, 0.007721, 0.00426, -0.004554, 0.003038, -0.000467, 0.004748, -0.011342, -0.009292, 0.000266, 0.000505, -0.00599, -0.003481, 0.001133, 0.010514, 0.000888, 0.007888, 0.000602, -0.004082, 0.00838, -0.001495, 0.001623, 0.004826, 0.0089, 0.006013, 0.001421, 0.001485, 0.008809, 0.008075, -0.005893, 0.007501, -0.001721, 0.004398, 0.001007, 0.010137, -0.000579, 0.000188, 0.003669, -0.006375, 0.004356, -0.000332, 0.001668, -0.004233, -0.000133, -0.005453, 0.0011, 0.001571, 0.000514, 0.000676, 0.003686, -0.001668, 0.004233, 0.000133, 0.005453, -0.0011, -0.001571, -0.000514, -0.000676, -0.003686, 0.006375, -0.004356, 0.000332, -0.004398, -0.001007, -0.010137, 0.000579, -0.000188, -0.003669, -0.0089, -0.006013, -0.001421, 0.005893, -0.007501, 0.001721, 0.001495, -0.001623, -0.004826, -0.001485, -0.008809, -0.008075, 0.009292, -0.000266, -0.000505, -0.000602, 0.004082, -0.00838, -0.010514, -0.000888, -0.007888, 0.000467, -0.004748, 0.011342, 0.00599, 0.003481, -0.001133, -0.00426, 0.004554, -0.003038, -0.00139, 0.005817, -0.007721, -0.003659, 0.001287, -0.003793, 0.00848, 0.002787, -0.006156, -0.002538, 0.002121, 0.002315, -0.013921, -0.019289, 0.002585, 0.005488, 0.002808, 0.009682, -0.00751, -0.004401, 0.000339, -0.007107, -0.006218, 0.005192, -0.01609, 0.003619, 0.011995, -0.005436, -0.009594, 0.006429, 0.009131, -0.001463, 0.005204, 0.001934, -0.006154, 0.002158, -0.007915, 0.001975, 0.013947, -0.005842, 0.008529, -0.001586, 0.014019, -0.002277, 0.005843, 0.00714, -0.00464, -0.007228, 0.012535, -0.005728, -0.000943, -0.001622, -0.004241, -0.01038, -0.003289, 0.002882, 0.0045, 0.003139, -0.007671, -0.000994, 0.003674, 0.002499, -0.008936, 0.009456, -0.006785, -0.003152, 0.005094, 0.001726, 0.001089, 0.007695, 0.014847, 0.001348, -0.004739, -0.002177, -0.00785, -0.000962, -0.003783, 0.00495, -0.005304, -0.001958, -0.006439, -0.002333, 0.006952, 0.008978, -0.006327, -0.001419, -0.012246, 0.010192, 0.000258, -0.00486, 0.017048, -0.007409, 0.002657, 0.007078, 0.000649, 0.001094, -0.010192, -0.000258, 0.00486, -0.017048, 0.007409, -0.002657, 0.005304, 0.001958, 0.006439, -0.007078, -0.000649, -0.001094, 0.006327, 0.001419, 0.012246, 0.002333, -0.006952, -0.008978, -0.007695, -0.014847, -0.001348, 0.000962, 0.003783, -0.00495, 0.004739, 0.002177, 0.00785, -0.003139, 0.007671, 0.000994, -0.005094, -0.001726, -0.001089, 0.001622, 0.004241, 0.01038, -0.009456, 0.006785, 0.003152, 0.003289, -0.002882, -0.0045, -0.003674, -0.002499, 0.008936, -0.00714, 0.00464, 0.007228, -0.012535, 0.005728, 0.000943, -0.014019, 0.002277, -0.005843, -0.009131, 0.001463, -0.005204, 0.005842, -0.008529, 0.001586, 0.007915, -0.001975, -0.013947, 0.005436, 0.009594, -0.006429, -0.001934, 0.006154, -0.002158, 0.01609, -0.003619, -0.011995, 0.013921, 0.019289, -0.002585, 0.007107, 0.006218, -0.005192, 0.00751, 0.004401, -0.000339, -0.005488, -0.002808, -0.009682, -0.00848, -0.002787, 0.006156, 0.002538, -0.002121, -0.002315]]},
 "free_energy": -654.21652618,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.100961447547053,
 "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", [6.68454, 13.6793, 9.17041, 7.78996, 14.22228, 10.95869, 5.4568, 11.81565, 9.29492, 7.72076, 13.33182, 7.27499, 8.98264, 13.30708, 13.52387, 6.52047, 10.08561, 13.39404, 6.07656, 10.8473, 7.27298, 5.22945, 9.10069, 10.90351, 8.24747, 9.99462, 14.7065, 9.80295, 11.53062, 14.62086, 9.78026, 14.20756, 7.42533, 5.61311, 8.2003, 8.88543, 8.39766, 10.84133, 5.49674, 12.00461, 13.65941, 12.64997, 12.3289, 14.13671, 8.95239, 9.50525, 8.15256, 14.55954, 7.23383, 8.31635, 6.38804, 6.69048, 6.3171, 9.16417, 10.49475, 11.84744, 5.44046, 12.76617, 11.68365, 13.61196, 13.30952, 13.6829, 10.83583, 7.6711, 5.86329, 11.04761, 11.60234, 9.15867, 14.50326, 7.99539, 6.34059, 7.35003, 10.19705, 8.46938, 5.37914, 14.38689, 11.7997, 11.11457, 11.75253, 10.00538, 5.2935, 10.21974, 5.79244, 12.57467, 11.01736, 6.69292, 6.47613, 14.77055, 10.89931, 9.09649, 13.92344, 9.1527, 12.72702, 12.27924, 6.66818, 12.72501, 13.47953, 9.91439, 6.60596, 14.5432, 8.18435, 10.70508, 12.21004, 5.77772, 9.04131, 13.31546, 6.3207, 10.82959, 8.02532, 12.2836, 11.83141, 6.72358, 10.66838, 10.55118, 7.34832, 11.10332, 11.72414, 7.38956, 12.85616, 9.34608, 8.14473, 13.21558, 10.65714, 6.52761, 11.52793, 9.35336, 9.65434, 13.2817, 10.57129, 8.28607, 12.75645, 8.05496, 9.17707, 12.48605, 12.7921, 7.41241, 9.98561, 12.74284, 6.88958, 10.74387, 8.05384, 6.31368, 9.20857, 10.65775, 10.23727, 12.87832, 11.77604, 8.17974, 11.35, 7.60916, 7.20953, 8.82013, 11.81439, 8.64906, 9.97579, 13.68512, 7.24362, 9.33262, 8.32559, 9.60475, 11.22172, 13.56031, 9.73448, 13.2779, 8.04261, 10.35223, 13.46183, 9.4118, 6.60385, 8.46693, 9.34033, 8.9351, 10.74552, 6.4883, 11.70656, 12.81037, 12.00004, 8.13512, 7.81964, 11.73117, 10.89971, 10.67905, 13.09528, 11.83679, 13.22972, 9.35881, 10.68326, 12.21053, 7.52204, 9.60345, 8.71453, 13.60736, 7.9133, 8.51529, 7.27051, 7.4214, 7.12124, 9.32049, 10.39655, 11.28547, 6.39264, 12.0867, 11.48471, 12.72949, 9.10029, 9.32095, 6.90472, 12.5786, 12.87876, 10.67951, 9.31674, 7.78947, 12.47796, 8.16321, 6.77028, 10.64119, 11.0649, 9.25448, 13.5117, 11.86488, 12.18036, 8.26883, 8.29344, 7.18963, 7.99996, 10.39525, 8.77828, 6.43969, 13.39615, 11.53307, 10.65967, 11.35094, 10.02421, 6.31488, 9.64777, 6.53817, 10.5882, 12.75638, 10.66738, 11.67441, 10.26552, 6.7221, 11.95739, 11.82026, 8.65, 12.39084, 12.79047, 11.17987, 8.18561, 9.76273, 7.12168, 8.22396, 10.82293, 7.51395, 7.2079, 13.68632, 10.79143, 9.34225, 13.11042, 9.25613, 11.94616, 11.71393, 7.24355, 11.94504, 12.58759, 10.01439, 7.25716, 10.34566, 6.7183, 9.42871, 12.65168, 8.89668, 8.27586, 13.47239, 8.47207, 10.64664, 11.85527, 6.78442, 9.34286, 12.61044, 7.14384, 10.65392, 11.97468, 7.7164, 8.16859, 13.27642, 9.33162, 9.44882]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00012493628817280517, 0.00011260930764918573, 0.0001540778942815541, 1.6290338818555303e-06, 2.165179515768902e-05, -7.77692037085054e-06]]},
 "unique_id": "31497d4ff0ab4d9606d77aef77dd247f",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}