{"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": 20.636164589296733,
 "energy": -610.66738088,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.000289, 0.000956, 0.001287, -0.004214, -0.004082, 0.003243, -0.006515, 0.002798, -0.003104, 0.00335, 0.000274, -0.002994, 0.003775, -0.004619, 0.002523, 0.000462, -0.006816, -0.002547, 0.00072, -0.001436, 0.000829, 0.002589, -0.000593, -0.000283, -0.000697, -0.000509, -0.002509, -0.002759, -0.006172, 0.000161, 0.003946, 0.002965, 0.003042, 0.008098, -0.000808, -0.007179, -0.004166, -0.003652, -0.001067, -0.003908, 0.005261, -0.005423, 0.001331, 0.001477, 0.005357, 0.001773, 0.004204, 0.000687, -0.002055, 0.000713, 0.001026, -0.000128, -0.000749, 0.000728, -0.000959, 0.005018, 0.004185, -0.004232, 0.005828, -0.002068, -0.003579, -0.000296, 0.001435, 0.004522, 0.003763, -0.001167, 0.002203, -6e-06, 0.003791, 0.001525, -0.001432, -0.003233, 0.000328, 0.001984, 0.001274, -0.005046, -0.001145, 0.002703, -0.003212, -0.011137, -0.00109, -0.001728, 0.002517, -0.003339, 0.003178, 1e-06, 0.006757, 0.002197, 0.003891, -0.004334, 0.000135, 0.002695, -0.001699, -0.009164, -0.004081, -0.009758, 0.00416, 0.010307, -0.006902, -0.002964, 0.000715, 0.003558, -0.005375, -0.008051, -0.003418, 0.002994, -0.00695, 0.005322, -0.011863, -0.004461, -0.005099, 0.002589, -0.001608, 0.006478, 0.008807, -0.003049, -0.004068, -0.001729, -0.007393, 0.002487, 0.004061, -0.005842, 0.000616, -0.000471, -4e-05, -0.004011, -0.00196, -0.002897, 0.002768, 0.004093, 0.004121, 0.009002, 0.001052, -0.004794, 0.001694, -0.003771, 0.003638, 0.002439, 0.0035, -0.002642, -0.000983, -0.01024, 0.007117, -0.00026, 0.00453, -0.01066, -0.004835, 0.004925, -0.006911, 0.001883, 0.004322, -0.001909, 0.005817, 0.005488, -0.00369, -0.005219, 0.006375, -0.001912, 0.001994, 0.000446, 0.005594, -0.007439, -0.009489, -0.001927, 0.003154, -0.003041, 0.005086, -0.004755, -0.00436, 0.010573, 0.005035, -0.009201, 0.002867, 0.001934, -0.003396, 0.005515, -0.001789, 0.000342, 0.005975, 0.004507, -0.000261, -0.002237, 0.001021, 0.002405, -0.00433, -0.00223, 0.006937, -0.00124, -0.000991, -0.00504, -0.000384, -0.001348, -0.003978, 0.004784, 0.00293, -0.003451, 0.005548, 0.004485, 0.001548, 0.001456, -0.001943, -0.001816, 0.001771, -0.000523, 0.00185, -0.000405, -0.000643, 0.00503, 0.002571, -0.007719, -0.001625, -0.000506, 0.004399, -0.006057, 0.004565, 0.001834, 0.004972, 0.002755, -0.001949, 0.002796, 0.003208, 0.00748, -0.000942, -0.001511, 0.007195, 0.000573, -0.004707, 9e-05, 0.00588, 0.005173, 0.000665, -0.000856, -0.002014, -0.010371, 0.003759, -0.000861, -0.000981, 0.004441, -0.000666, 0.002734, 0.002158, -0.001635, -0.002435, 0.005244, 0.006017, 0.003427, -0.001808, -0.005323, 0.003312, 0.000939, 0.004386, -0.00558]]},
 "free_energy": -610.97991993,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.039346717008538,
 "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", [7.10182, 13.1912, 12.44097, 5.25963, 11.18025, 10.8208, 6.66297, 13.59928, 9.3275, 7.7949, 13.60002, 7.34015, 9.04567, 13.27231, 13.64214, 5.21679, 8.89499, 10.89081, 8.2147, 9.90853, 14.50278, 5.99345, 9.14987, 7.41471, 10.52289, 14.76806, 9.32756, 11.33842, 10.90841, 14.7105, 11.12727, 13.30419, 6.44665, 6.71408, 6.38308, 9.03501, 10.45359, 11.55412, 5.29057, 12.79238, 12.09205, 13.55421, 7.57753, 5.75533, 10.96132, 10.46764, 8.27572, 5.49887, 14.37163, 11.97287, 10.67654, 10.43048, 5.92574, 12.58276, 14.10226, 9.01694, 12.66084, 13.40776, 10.10398, 6.35746, 10.42802, 5.10986, 9.10812, 13.93322, 8.23189, 7.5596, 14.45513, 7.94133, 10.67434, 12.5891, 5.85407, 9.1794, 7.82974, 12.49411, 11.98331, 6.28286, 10.80131, 10.63464, 7.20549, 11.14211, 11.80495, 7.45461, 12.82705, 9.3708, 8.27648, 13.00237, 10.61278, 6.84351, 11.42635, 9.39258, 9.58908, 13.31943, 10.60574, 8.29184, 12.85667, 8.0012, 9.1798, 12.50175, 12.85153, 7.6318, 10.02909, 12.44043, 7.15997, 10.73029, 8.27928, 6.25384, 9.19617, 10.62559, 10.23349, 12.94041, 11.84487, 8.11232, 11.44647, 7.45802, 7.22358, 8.83023, 11.73988, 8.70067, 10.00605, 13.50169, 6.88356, 9.26295, 8.08031, 9.61899, 11.19329, 13.41903, 9.75811, 13.1094, 8.11823, 10.38039, 13.66088, 9.37055, 6.72892, 8.52401, 9.38038, 9.02714, 10.75222, 6.72071, 11.54137, 12.55201, 11.83661, 8.01947, 7.72199, 11.77446, 11.06265, 10.78066, 13.64102, 11.71405, 12.94427, 9.41393, 10.81775, 12.53962, 7.19193, 9.64251, 8.84882, 13.24058, 8.10256, 8.59986, 7.47291, 7.43178, 7.18002, 9.32833, 10.41488, 11.25398, 6.36041, 12.15987, 11.56225, 12.80881, 9.01693, 9.3063, 6.75963, 12.26856, 12.54151, 10.5863, 9.25408, 7.76085, 12.5265, 8.11316, 6.68462, 10.66865, 11.01386, 9.30668, 13.27791, 11.95024, 12.25694, 8.16381, 8.44833, 7.41335, 8.22412, 10.40928, 8.76848, 6.49989, 13.36276, 11.49508, 10.63021, 11.25347, 10.00885, 6.58471, 9.60869, 6.4337, 10.61733, 13.02806, 10.73213, 11.88182, 10.26236, 6.80786, 11.91825, 11.95665, 8.65224, 12.54008, 12.72581, 11.13355, 8.15512, 9.7485, 6.99961, 8.25934, 10.7628, 7.75869, 7.56077, 13.28616, 10.63792, 9.39388, 13.24248, 9.25991, 11.99862, 11.57175, 7.52507, 11.71926, 12.63446, 9.99517, 7.14933, 10.39552, 6.1894, 9.37315, 13.04525, 8.70852, 8.01742, 13.47597, 8.45569, 10.62965, 11.91355, 6.71098, 9.36512, 12.33352, 7.43905, 10.60703, 11.95316, 7.69563, 8.19585, 13.39035, 9.29139, 9.38756]]},
 "stress": {"__ndarray__": [[6], "float64", [9.802914233112245e-05, 0.00011397619814775417, 9.708667445311407e-05, -3.5763847291311073e-06, -7.427395859801078e-07, -5.929433669589095e-07]]},
 "unique_id": "80288d3773927adc11d0aa93ac45bc08",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}