{"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": 20.636175592199695,
 "energy": -592.9682423,
 "forces": {"__ndarray__": [[78, 3], "float64", [-0.0001, 0.001208, -0.0016, 0.000666, -0.00091, 0.001492, -0.002597, -0.000194, 0.002652, -0.001915, -0.001512, -0.000422, -0.001196, -0.003974, -0.000868, 0.001538, 0.002016, -0.00068, 0.002851, -0.001558, -0.002345, 0.002882, -0.000798, 0.002033, -0.001674, 0.001347, 0.000555, -0.002882, 0.000798, -0.002033, 0.001674, -0.001347, -0.000555, -0.001538, -0.002016, 0.00068, -0.002851, 0.001558, 0.002345, 0.001196, 0.003974, 0.000868, 0.001915, 0.001512, 0.000422, 0.002597, 0.000194, -0.002652, 0.0001, -0.001208, 0.0016, -0.000666, 0.00091, -0.001492, -0.000833, -0.004584, -0.001286, -0.002826, -0.005085, 0.004405, 3.2e-05, -0.001104, -8.1e-05, -0.004341, -0.008667, 0.000405, -0.003354, 0.00462, 0.001847, 0.005076, 0.00239, 0.002193, 7.7e-05, -0.004178, 0.006255, -0.00443, 0.00176, 0.00167, -0.001652, 0.004864, -0.000891, -0.000704, -0.000927, -0.001755, -0.00094, -0.000795, 0.002006, -0.003337, -0.002428, -0.002588, -0.002478, -0.001854, -0.004777, -0.000952, -0.000209, 0.001121, 0.00561, -0.00287, 0.001481, 0.00282, 0.001539, -0.001359, 0.002142, 0.0013, -0.000643, -0.001279, -0.008659, -0.002433, -0.006619, -3.6e-05, 0.000669, 0.002493, -0.0021, -0.001817, -0.004253, -0.005193, 0.003264, 0.001765, -0.002489, 0.002175, 0.002705, 0.000169, -0.000892, 0.002215, -0.003217, -0.001683, 0.000806, -0.000216, 0.00179, -0.001716, 0.00133, 0.000559, 0.000643, -0.001981, -0.00354, 0.001195, -0.002431, 0.00509, 0.003008, 0.001251, -0.002579, 0.002619, 0.000375, 0.004603, -0.001195, 0.002431, -0.00509, -0.003008, -0.001251, 0.002579, -0.000806, 0.000216, -0.00179, -0.002619, -0.000375, -0.004603, -0.000643, 0.001981, 0.00354, 0.001716, -0.00133, -0.000559, -0.001765, 0.002489, -0.002175, -0.002215, 0.003217, 0.001683, -0.002705, -0.000169, 0.000892, 0.001279, 0.008659, 0.002433, 0.004253, 0.005193, -0.003264, -0.00282, -0.001539, 0.001359, -0.002493, 0.0021, 0.001817, -0.002142, -0.0013, 0.000643, 0.006619, 3.6e-05, -0.000669, 0.000952, 0.000209, -0.001121, -0.00561, 0.00287, -0.001481, 0.002478, 0.001854, 0.004777, 0.001652, -0.004864, 0.000891, 0.003337, 0.002428, 0.002588, 0.00094, 0.000795, -0.002006, 0.00443, -0.00176, -0.00167, 0.000704, 0.000927, 0.001755, -7.7e-05, 0.004178, -0.006255, -3.2e-05, 0.001104, 8.1e-05, -0.005076, -0.00239, -0.002193, 0.003354, -0.00462, -0.001847, 0.004341, 0.008667, -0.000405, 0.000833, 0.004584, 0.001286, 0.002826, 0.005085, -0.004405]]},
 "free_energy": -593.21473382,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 25.69427307284054,
 "numbers": {"__ndarray__": [[78], "int32", [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__": [[78, 3], "float64", [7.2561, 13.17996, 12.70351, 5.29495, 10.98224, 10.77098, 7.59003, 14.31106, 10.73648, 7.85195, 13.59788, 7.51841, 5.45911, 8.10535, 9.14786, 8.48839, 10.91167, 5.32616, 7.2747, 6.86953, 12.54527, 9.3445, 8.33625, 14.66292, 6.81567, 6.2569, 9.10458, 10.6555, 11.66375, 5.33708, 13.18433, 13.7431, 10.89542, 11.51161, 9.08833, 14.67384, 12.7253, 13.13047, 7.45473, 14.54089, 11.89465, 10.85214, 12.14805, 6.40212, 12.48159, 12.40997, 5.68894, 9.26352, 12.7439, 6.82004, 7.29649, 14.70505, 9.01776, 9.22902, 7.84705, 12.52627, 12.03168, 6.37621, 10.75689, 10.66158, 7.1968, 11.18084, 11.86433, 7.65862, 12.57019, 9.43908, 8.0981, 13.33252, 10.66503, 6.94562, 11.42089, 9.44985, 9.61506, 13.49877, 10.62442, 8.29756, 12.73601, 8.05728, 9.25564, 12.31115, 12.58793, 7.67877, 10.03146, 12.48984, 7.1789, 10.66515, 8.21742, 6.61164, 9.24488, 10.5937, 10.2262, 12.99017, 11.81553, 8.01838, 11.40499, 7.3854, 7.27137, 8.86056, 11.71007, 8.78419, 10.00078, 13.36232, 7.02495, 9.26595, 8.15949, 9.63982, 11.1469, 13.29279, 9.77809, 12.88994, 8.19139, 10.37699, 13.33923, 9.45038, 6.49884, 8.43341, 9.32657, 8.89456, 10.76302, 6.34633, 11.5833, 12.59355, 11.83432, 7.91822, 7.5314, 11.92891, 10.99012, 10.72825, 13.32945, 11.74318, 13.06116, 9.42523, 10.70853, 12.28611, 7.41748, 9.58028, 8.73159, 13.65853, 8.05992, 8.57414, 7.45243, 7.45052, 7.13883, 9.32155, 10.41972, 11.26841, 6.34147, 11.94008, 11.42586, 12.54757, 9.00988, 9.27175, 6.67055, 12.54948, 12.86117, 10.67845, 9.29147, 7.71389, 12.58252, 8.25682, 6.93884, 10.57477, 11.10544, 9.23698, 13.65367, 12.08178, 12.4686, 8.07109, 8.4167, 7.40645, 8.16568, 10.36018, 8.8531, 6.70721, 13.50116, 11.56659, 10.67343, 11.21581, 9.99922, 6.63768, 9.62301, 6.66077, 10.54962, 12.97505, 10.73405, 11.84051, 10.22191, 7.11006, 11.80861, 11.98162, 8.59501, 12.6146, 12.72863, 11.13944, 8.28993, 9.7738, 7.00983, 8.18447, 10.74436, 7.68885, 7.41207, 13.38836, 10.75512, 9.4063, 12.8211, 9.33485, 11.78258, 11.70244, 7.26399, 11.94272, 12.32123, 9.96854, 7.51016, 10.38494, 6.50123, 9.37558, 12.8032, 8.81916, 8.13567, 13.05438, 8.57911, 10.55015, 11.9019, 6.66748, 9.33497, 12.34138, 7.42981, 10.56092, 12.15295, 7.47373, 7.96832, 13.62379, 9.24311, 9.33842]]},
 "stress": {"__ndarray__": [[6], "float64", [6.976758900912306e-05, 0.00010144324782298059, 9.232440299006515e-05, 6.865660038471585e-07, 2.147079139303841e-06, 1.3281931419879574e-05]]},
 "unique_id": "ad807dd323242ce1264450d8d41ed39a",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}