{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [10.541745235, -1.362657382, 0.958486329, -1.363383444, 11.938331833, 1.206780546, 0.960355469, 1.208468561, 12.904522298]]},
 "ctime": 20.602625191530997,
 "energy": -608.12035831,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.493056, 0.00627, 0.332363, -2.388759, 0.469857, -0.021496, -2.418477, 0.206394, 1.169376, -1.798973, 1.085515, -0.447737, -0.396413, 1.499553, -0.321365, -0.540313, 2.166626, -1.368456, 0.290428, 1.119118, 1.367421, -2.287543, 0.866777, -1.726547, -0.769816, -0.060632, 2.60314, -0.064885, 0.899139, -2.033188, 0.885835, 0.460902, 1.532473, -2.528771, -1.08208, -1.281669, 0.031167, -0.362479, -0.188628, -0.855449, -1.14023, 1.93367, -0.179075, -0.90748, 2.364501, -0.580768, -0.808117, -0.052308, 0.945209, -0.540161, -1.729504, -0.669885, -3.277816, 1.663875, 1.167026, -0.38256, 1.451648, -0.102091, -1.93306, -1.189385, 0.296805, -1.143715, 0.600599, 0.194764, -1.906781, -0.110347, 1.402521, -1.19209, -0.044959, 1.739335, -1.449634, -1.248596, 0.298212, 0.678238, 0.749159, -0.85755, -0.115963, 2.14817, -0.234561, 0.787678, -0.0709, 1.425827, 1.764738, -1.037749, -0.695837, -0.45836, -0.605656, -0.097442, -0.253417, -0.544503, 0.283348, 1.25711, 1.407317, -1.102105, 1.423656, -0.051446, -0.713576, 0.131203, 1e-06, -2.173942, -1.115353, 0.061617, -0.907729, -0.015001, 0.572594, -1.350693, -1.342107, -0.533238, 0.277089, 1.525623, -0.442775, 1.858394, 0.869059, -0.346801, -1.964979, 0.462152, -0.028807, 1.027408, -0.48232, 0.815606, -1.550485, -1.024851, -1.07764, 1.091464, 0.234858, 1.438081, -0.782003, 0.53553, -1.903028, -0.38698, 1.481476, -1.313015, -1.732221, -0.658113, 1.33433, -2.191776, 0.046388, -0.194184, 0.749035, 1.46955, -0.442083, -0.419566, -1.571995, 2.01662, -1.047944, -0.497871, 1.222366, 2.849816, 0.369805, -0.862593, 0.706805, 1.174196, 0.051447, -0.411477, -0.458339, 0.011939, 0.144263, -0.076009, 0.69865, -1.982317, -1.47167, 0.431641, 1.355295, 0.954924, -1.018626, 2.116883, 0.420761, 0.641199, 0.10769, 0.408479, -0.672173, 2.11293, -0.128896, -1.355841, 0.231157, -0.728269, -1.196607, -0.724842, -1.715124, -0.181697, 1.20687, 1.187594, 0.557287, 1.117896, 2.0182, -0.089534, -2.163817, -0.411443, 0.132706, -0.751062, -0.57609, -0.801399, 1.52386, 2.42761, -1.35226, 1.104187, 0.236514, -1.089823, -0.521751, -1.148157, 3.477318, 0.926447, 1.120309, 0.297632, -0.43413, 1.139998, -0.93578, -1.387043, -1.353948, 0.440724, 1.110594, 0.374194, -0.860354, 1.310715, -0.64827, 0.846537, 1.01587, 0.283172, -0.202775, 2.319517, 0.826404, 0.217342, 1.836871, -0.135914, -0.976582, 0.282354, -0.42391, 0.782303, 1.112627, 1.647894, -0.24171, -0.286542, -0.344233, -2.259423, 2.543564, -0.15799, 0.324213, 1.43953, 1.216061, 1.536725, 1.893852, -0.247463, -1.00198, -1.264261, -2.586117, 0.41407, -0.655175, -1.280393, 0.040227, 0.532623, 0.360892, -2.231724]]},
 "free_energy": -608.30357043,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.3364183829316,
 "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", [2.63058, 9.48128, 10.05772, 0.84132, 7.26922, 8.16959, 1.70032, 7.63679, 10.19464, 1.93752, 9.39648, 6.79635, 3.22336, 10.37536, 8.29066, 3.29004, 9.50141, 5.01225, 4.55311, 9.46351, 10.89148, 2.24558, 7.73635, 4.22036, 4.68219, 7.57949, 11.93135, 3.8376, 6.94198, 2.96004, 6.86206, 7.1438, 11.97113, 2.17332, 4.12125, 4.25152, 3.45121, 4.88899, 2.82761, 4.27822, 3.41319, 11.1662, 6.47899, 4.93665, 12.00812, 3.03023, 2.41645, 5.21005, 5.47155, 4.30546, 2.8982, 5.34395, 1.9646, 9.89692, 8.14958, 4.07457, 10.8833, 5.63889, 2.5214, 4.05612, 7.3462, 2.34724, 10.06839, 7.00492, 1.61346, 6.79115, 8.37814, 2.4223, 8.25657, 7.65878, 2.634, 4.95927, 3.1871, 8.72316, 9.51457, 1.84277, 6.95456, 8.17083, 2.43895, 7.45084, 9.48901, 2.77574, 8.77389, 6.92903, 3.48415, 9.35456, 8.16414, 2.43309, 7.43305, 7.02496, 4.89828, 9.21666, 8.04352, 3.54406, 8.66136, 5.57092, 4.56805, 8.62681, 10.24695, 3.12301, 6.30871, 9.98247, 2.59195, 6.72028, 5.89398, 2.05184, 5.53846, 8.19209, 5.48894, 8.83293, 9.20231, 3.04111, 7.44182, 4.79745, 2.69948, 5.16161, 9.33104, 4.33119, 6.23768, 10.47236, 2.43786, 5.41478, 5.81696, 4.9841, 7.37981, 10.95961, 4.92725, 8.68498, 5.76335, 5.55584, 9.13244, 6.8848, 2.26507, 4.82727, 7.02711, 3.98417, 6.60012, 3.93742, 6.7333, 8.29518, 9.21823, 3.4145, 4.03981, 9.30931, 6.44073, 6.80695, 11.06427, 6.79738, 8.59608, 6.85594, 5.73563, 7.91106, 4.97255, 5.06201, 5.10937, 10.51282, 2.943, 4.49717, 4.81655, 2.97467, 3.67911, 6.99776, 5.29476, 6.78411, 4.35736, 7.11109, 7.2252, 9.94155, 3.85211, 5.06414, 3.8277, 7.38985, 8.22315, 8.00051, 4.52025, 3.83249, 10.23721, 3.55864, 3.34081, 8.16955, 6.36068, 5.24566, 11.0157, 6.93412, 7.83126, 5.66338, 3.43598, 3.32417, 5.65756, 5.2983, 4.52939, 3.91267, 8.1229, 7.01827, 7.97307, 6.02253, 5.66892, 4.31227, 4.81412, 2.80373, 8.1457, 7.96687, 6.42505, 9.19137, 5.44196, 2.88086, 9.47897, 7.37674, 4.40602, 10.25028, 7.67139, 6.72891, 5.63336, 4.79917, 3.174, 5.81877, 5.68129, 3.31795, 4.73914, 8.24557, 6.32174, 6.81649, 7.93083, 5.09954, 9.18403, 6.8932, 3.1275, 9.50584, 7.22806, 5.58075, 4.92796, 5.41315, 2.84768, 6.99706, 7.5659, 4.52039, 5.66857, 8.05555, 4.37974, 8.01634, 6.79095, 2.63769, 6.90153, 7.57709, 3.09595, 8.12729, 7.0303, 3.25947, 5.49879, 8.24491, 4.94738, 6.84018]]},
 "stress": {"__ndarray__": [[6], "float64", [-0.09168544721783023, -0.09386317840845128, -0.08478216960385694, 0.01412543392918794, 0.004631343326115273, -0.0007022321917531253]]},
 "unique_id": "4ef5a14bcbc6f665af98e1b58e24d88b",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}