{"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": 20.635548301634557,
 "energy": -654.20568353,
 "forces": {"__ndarray__": [[96, 3], "float64", [-0.000156, -0.001455, 0.003646, -0.003679, 0.001518, 0.003237, -0.001702, 0.001316, 0.000688, -0.000322, 0.000724, -0.00156, -0.000359, 0.001697, -0.000687, -0.007503, -0.003138, -0.000395, -0.000605, 0.00426, 0.004026, 0.002252, -0.002718, 0.004266, -0.00408, 0.000897, 0.000276, 0.001107, -0.003438, 0.003994, -0.001351, 0.00492, 0.000684, -0.003525, -0.002248, 0.001985, -7e-06, 3.2e-05, -0.003323, -0.000209, 0.00643, 0.001837, -0.001932, -0.002044, 0.000586, -7.1e-05, 0.000715, 0.001519, 0.001184, 0.001818, 0.00011, -0.001119, 1.5e-05, 0.000615, 0.001071, -0.003269, -0.00327, 0.000745, -0.002555, 0.004767, 0.00048, -0.001217, 0.002456, 0.00031, 0.002266, -0.005142, -0.001867, 0.001787, -0.002991, 0.002808, -0.000508, 0.001305, 0.00202, -0.001005, -0.001367, 0.002507, 0.000883, -0.00413, 0.001664, 0.001738, 0.000605, 0.000241, -0.001841, -0.000245, 0.001175, 0.000867, -0.000153, 0.003241, 0.001648, 0.001573, 0.000587, 0.00418, -0.001077, -0.000807, 0.004003, -0.003875, -0.002403, 0.000791, -0.003634, 0.006432, -0.001077, -0.002459, 0.004255, -0.000152, 0.001484, 0.00576, -0.000584, -0.007444, -0.007285, -0.015448, -0.001754, 0.001367, -0.005436, 0.001869, 0.012789, 0.008127, 0.001072, 0.004118, -0.007812, -0.001292, -0.003037, 0.004658, -0.003153, -0.001594, 0.002445, -0.007233, 0.003323, 0.001104, -0.004308, 7.5e-05, 0.000273, 0.005276, 0.00095, 0.003632, -0.005108, -0.005416, 0.003066, 0.007881, -0.003484, -0.003433, -0.00532, -0.005478, -0.003705, -0.00104, 0.001396, 0.006208, 0.000529, -0.005234, -0.006787, 0.004805, -0.000845, -0.01103, 0.000888, 0.006132, 0.000669, -0.00428, -9.3e-05, 0.005151, -0.001567, 0.006945, -0.009503, 0.006055, 0.00333, 0.003088, 0.006472, -0.006401, 0.005456, -0.007324, -0.011525, -0.00219, -0.008789, 0.001987, -0.001248, 0.000888, 0.000733, 0.003964, 0.007686, 0.001237, -0.002895, 0.009903, -0.002535, -0.001019, 0.006844, 0.000764, 0.004848, -0.006017, 0.002399, 0.000287, 0.001293, -0.00242, 0.001206, -0.002847, -0.007424, 3.2e-05, -0.006758, 0.000918, -0.000119, 0.004117, 0.001929, -0.004661, -0.001363, -0.001513, -0.000271, 0.010355, -0.001631, -0.002449, 0.006417, -0.003124, -0.001942, 0.006653, -0.006335, -0.002264, -0.004877, -0.001633, -0.003134, -0.004878, 0.000561, 0.007536, 0.001037, -0.001889, -0.002563, 0.003797, 0.010667, 0.006903, -0.00074, -0.002496, 0.01014, -0.009351, -0.003131, -0.012305, -0.007003, -0.000158, 0.010307, -0.008623, -0.001262, 0.002937, -0.000809, 0.009671, -0.001695, 0.000186, 0.002336, -0.002213, -0.006996, 0.000422, -0.0002, -0.000219, 0.00246, 0.011587, -0.004067, -0.003989, 0.003514, 0.006731, 0.003681, -0.004325, 0.009759, -0.003914, 0.009265, 0.01511, -0.002761, -0.000449, -0.002583, 0.004003, -0.000229, -0.008011, -0.004937, -0.00027, -0.008503, 0.002323, -0.007155, 0.000445, 0.001592, -0.005406, -0.003049, 0.001216, -3.4e-05, 0.002468, 0.00239, 0.003978, 0.0064, 0.002076, -0.008904, 0.003161, 0.00561, -0.006012, 0.000565, -0.003996, 0.001464, 0.001291]]},
 "free_energy": -654.52718608,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.143468973228966,
 "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", [6.56752, 13.44968, 9.20064, 7.6439, 14.20484, 10.93954, 7.72316, 13.6811, 7.41891, 6.54902, 10.00916, 13.49315, 5.82946, 10.87998, 7.58985, 5.30303, 9.10575, 10.94057, 10.17796, 14.17221, 12.50923, 7.16941, 11.98133, 6.34337, 8.38094, 10.21367, 14.65604, 9.66061, 14.32912, 7.46024, 10.58401, 14.81334, 9.3241, 5.67739, 7.95778, 9.05846, 8.59973, 11.00041, 5.26248, 12.31068, 13.50226, 12.47568, 7.14527, 6.83322, 12.40904, 11.35635, 11.16352, 14.55953, 11.08459, 13.294, 6.34167, 9.45496, 8.36766, 14.73908, 7.21745, 7.963, 6.50631, 10.59125, 11.62281, 5.27369, 8.81871, 8.87651, 5.3447, 8.87513, 6.7325, 13.6581, 11.43192, 9.03585, 14.72612, 12.77088, 13.33896, 7.65274, 11.78195, 9.85845, 5.44009, 9.2565, 5.19073, 10.79852, 14.074, 11.0993, 12.50748, 10.32316, 5.6836, 12.58258, 12.81283, 7.97419, 13.65781, 13.9456, 11.50936, 7.49403, 14.20158, 8.92971, 12.34607, 12.27201, 6.29856, 12.53934, 10.57064, 5.21471, 9.06012, 13.93077, 8.52819, 7.52446, 13.30413, 6.45076, 10.67593, 12.60056, 6.73189, 7.49091, 8.02031, 12.26968, 11.82473, 6.67126, 10.72466, 10.54588, 7.22094, 11.18341, 11.80928, 7.43648, 12.77875, 9.32387, 8.13363, 13.24251, 10.65114, 6.89206, 11.38532, 9.39327, 9.60546, 13.40613, 10.57946, 8.23022, 12.8696, 7.9565, 9.27908, 12.21277, 12.54604, 7.39546, 10.00219, 12.76293, 6.84993, 10.73642, 8.03397, 6.3751, 9.24528, 10.65736, 10.23147, 13.21603, 11.93265, 7.82895, 11.58098, 7.124, 7.25719, 8.87003, 11.8157, 8.71005, 10.01662, 13.62017, 7.11864, 9.29901, 8.18461, 9.64623, 11.12588, 13.25152, 9.72067, 13.35792, 7.96798, 10.37312, 13.71203, 9.3634, 6.62633, 8.47581, 9.34254, 8.91492, 10.80902, 6.29618, 11.69906, 12.73927, 11.93419, 7.88598, 7.55014, 11.96571, 11.07959, 10.76677, 13.547, 11.67972, 12.96264, 9.4056, 10.82135, 12.57961, 7.13224, 9.59681, 8.70773, 13.70519, 7.89749, 8.46598, 7.23705, 7.73665, 7.45449, 9.45376, 10.42191, 11.30548, 6.31065, 11.94481, 11.38038, 12.52956, 8.96918, 9.22924, 6.38079, 12.26418, 12.54507, 10.54477, 9.17296, 7.4443, 12.87756, 8.30338, 7.04997, 10.60691, 11.10724, 9.19243, 13.68951, 12.11826, 12.53582, 8.0391, 8.45125, 7.40754, 8.19023, 10.37877, 8.88285, 6.7491, 13.17351, 11.41361, 10.5692, 11.32595, 10.01679, 6.45318, 9.56407, 6.24479, 10.67667, 13.1633, 10.76446, 11.95265, 10.25657, 6.6382, 12.04498, 12.17912, 8.39648, 12.86738, 13.01144, 11.24459, 8.04748, 9.73682, 7.0011, 8.17503, 10.72123, 7.78764, 7.45362, 13.39816, 10.72473, 9.43176, 13.20102, 9.19528, 11.96032, 11.74859, 7.11892, 12.03171, 12.38789, 10.03018, 7.46913, 10.40034, 6.28123, 9.34828, 12.98705, 8.7866, 8.06477, 13.09916, 8.59267, 10.59342, 11.68678, 7.01456, 9.4196, 12.48566, 7.21729, 10.6363, 12.08146, 7.53714, 8.06675, 13.32803, 9.27479, 9.455]]},
 "stress": {"__ndarray__": [[6], "float64", [8.191356576809188e-05, 9.224326337142867e-05, 0.00013046002374921187, -1.1846384320926425e-05, -1.5141901139392784e-05, 9.986414601413214e-07]]},
 "unique_id": "e257671160635a9b9853aebfa73ed4e0",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}