{"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": 20.636156470749274,
 "energy": -621.08275161,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.0093, -0.011406, -0.012087, 0.002175, -0.009986, -0.000285, 0.004225, -0.009219, 0.006527, 0.012721, -0.002117, 0.004743, -0.004555, -0.014461, -0.003139, 0.005257, -0.011005, 0.012031, 0.006663, -0.003495, 0.001308, 0.001813, -0.006932, -0.002871, 0.00737, -0.003206, 0.002543, 0.002754, -0.007329, -0.001605, 0.005141, -0.006794, -0.003343, 0.006972, -0.007322, 0.003268, -0.006972, 0.007322, -0.003268, -0.005141, 0.006794, 0.003343, -0.002754, 0.007329, 0.001605, -0.00737, 0.003206, -0.002543, -0.006663, 0.003495, -0.001308, -0.001813, 0.006932, 0.002871, -0.005257, 0.011005, -0.012031, 0.004555, 0.014461, 0.003139, -0.004225, 0.009219, -0.006527, -0.012721, 0.002117, -0.004743, -0.0093, 0.011406, 0.012087, -0.002175, 0.009986, 0.000285, 0.013838, -0.001182, -0.009191, -0.003506, 0.013826, 0.01135, -0.01046, 0.005534, -0.013652, 0.004034, -0.00918, -0.004983, 0.007991, 0.001721, 0.004937, 0.01827, -0.000918, -0.000806, -0.001558, -0.016093, 0.004702, 0.00164, -0.010367, 0.011164, 0.006817, 0.007029, 0.006536, 0.006674, -0.011312, -0.008735, -0.009533, 0.006671, -0.007072, 0.020959, -0.005834, 0.016539, 0.003752, 0.005729, 0.013382, -0.008858, 0.002929, -0.006258, -0.002782, 0.017705, 0.000849, -0.000689, 0.00497, -0.001968, 0.008228, -0.004098, 0.008155, 0.005388, -0.008053, -0.007076, 0.00298, 0.00957, 0.008378, -0.01084, 0.005318, -0.013059, 0.003683, 0.007134, -0.001731, 0.001885, 0.001126, 0.010372, -0.000238, -0.002115, -0.002556, 0.014217, -0.00785, -0.00138, 0.006851, 0.003689, -0.012616, -0.003889, -0.016151, -0.00692, 0.007931, -0.008698, 0.012515, 0.008832, 1.2e-05, -0.002557, 0.007045, 0.011025, -0.002581, 0.005668, 0.000582, -0.002858, -0.008832, -1.2e-05, 0.002557, -0.007045, -0.011025, 0.002581, -0.006851, -0.003689, 0.012616, -0.005668, -0.000582, 0.002858, -0.007931, 0.008698, -0.012515, 0.003889, 0.016151, 0.00692, -0.001885, -0.001126, -0.010372, -0.014217, 0.00785, 0.00138, 0.000238, 0.002115, 0.002556, -0.005388, 0.008053, 0.007076, -0.003683, -0.007134, 0.001731, 0.000689, -0.00497, 0.001968, 0.01084, -0.005318, 0.013059, -0.008228, 0.004098, -0.008155, -0.00298, -0.00957, -0.008378, 0.008858, -0.002929, 0.006258, 0.002782, -0.017705, -0.000849, -0.003752, -0.005729, -0.013382, -0.006817, -0.007029, -0.006536, -0.020959, 0.005834, -0.016539, 0.009533, -0.006671, 0.007072, -0.00164, 0.010367, -0.011164, -0.006674, 0.011312, 0.008735, 0.001558, 0.016093, -0.004702, 0.01046, -0.005534, 0.013652, -0.01827, 0.000918, 0.000806, -0.007991, -0.001721, -0.004937, -0.004034, 0.00918, 0.004983, -0.013838, 0.001182, 0.009191, 0.003506, -0.013826, -0.01135]]},
 "free_energy": -621.10165986,
 "key_value_pairs": {"perms_num": 8},
 "mtime": 25.002217932705232,
 "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", [7.2851, 13.38526, 12.23959, 5.14533, 10.84424, 10.78873, 6.10729, 11.54346, 12.71538, 5.75742, 12.27558, 9.18132, 9.14738, 14.73575, 10.81917, 7.6196, 13.62873, 7.7615, 8.945, 13.13301, 13.75187, 5.79083, 10.84236, 7.43548, 10.50043, 14.2612, 12.5647, 7.34582, 11.97251, 6.2491, 9.73554, 14.17804, 7.28602, 10.69809, 14.87678, 9.21282, 9.30191, 5.12322, 10.78718, 10.26446, 5.82196, 12.71398, 12.65418, 8.02749, 13.7509, 9.49957, 5.7388, 7.4353, 11.055, 6.86699, 6.24813, 14.20917, 9.15764, 12.56452, 12.3804, 6.37127, 12.2385, 10.85262, 5.26425, 9.18083, 13.89271, 8.45654, 7.28462, 14.24258, 7.72442, 10.81868, 12.7149, 6.61474, 7.76041, 14.85467, 9.15576, 9.21127, 7.87822, 12.49958, 11.94207, 6.23784, 10.77722, 10.65616, 6.91881, 11.27188, 12.02034, 7.83694, 12.38097, 9.43393, 8.40341, 12.79081, 10.56723, 6.58424, 11.56012, 9.35095, 9.57198, 13.72804, 10.64965, 8.27756, 12.79042, 8.05959, 9.17732, 12.52843, 12.85917, 7.59499, 10.02126, 12.53702, 6.7436, 10.76123, 7.98502, 6.62438, 9.31683, 10.59226, 10.28266, 13.33001, 12.0154, 7.8486, 11.5642, 7.14179, 7.23459, 8.87776, 11.78897, 8.78603, 10.02383, 13.25245, 7.07066, 9.31379, 8.18319, 9.62278, 11.16658, 13.29542, 9.74243, 13.32236, 7.98128, 10.42448, 13.81693, 9.34536, 6.86691, 8.63149, 9.40843, 9.00639, 10.71948, 6.70535, 11.55861, 12.57158, 11.81619, 8.07739, 7.71728, 11.78903, 10.96322, 10.69933, 13.29862, 11.69467, 12.9977, 9.40785, 10.723, 12.29344, 7.46401, 9.64794, 8.83768, 13.25183, 8.04655, 8.58193, 7.45818, 7.72874, 7.44561, 9.40872, 10.35206, 11.16232, 6.74817, 11.95345, 11.41807, 12.54182, 9.03678, 9.30067, 6.70138, 12.27126, 12.55439, 10.59128, 9.277, 7.70656, 12.53599, 8.30533, 7.0023, 10.59215, 10.99361, 9.28052, 13.29465, 11.92261, 12.28272, 8.21097, 8.44139, 7.42842, 8.18381, 10.37722, 8.83342, 6.70458, 13.13309, 11.36851, 10.59157, 11.21397, 9.97617, 6.74755, 9.57552, 6.18307, 10.65464, 12.92934, 10.68621, 11.81681, 10.25757, 6.67764, 12.01872, 12.1514, 8.4358, 12.85821, 12.76541, 11.12224, 8.21103, 9.71734, 6.66999, 7.9846, 10.82268, 7.47157, 7.14083, 13.37562, 10.68317, 9.40774, 13.2564, 9.23877, 12.01498, 11.72244, 7.20958, 11.94041, 12.40501, 9.97874, 7.46298, 10.42802, 6.27196, 9.35035, 13.08119, 8.72812, 7.97966, 13.41576, 8.43988, 10.64905, 11.59659, 7.20919, 9.43277, 12.16306, 7.61903, 10.56607, 12.12178, 7.50042, 8.05793, 13.76216, 9.22278, 9.34384]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00020730548410708653, 0.00019654512237406383, 0.00015804749408561587, -8.700663721481262e-06, -1.640892749194709e-05, -5.687263115504825e-05]]},
 "unique_id": "89a9010c2bc08182629a2f8c4813746a",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}