{"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": 20.635550206710285,
 "energy": -666.35445572,
 "forces": {"__ndarray__": [[96, 3], "float64", [0.004383, -0.000296, -0.000811, -0.001459, 0.007384, 0.000947, -0.002395, 0.002332, 0.003109, 0.003637, 0.00102, 0.002544, -0.003456, -0.002735, 0.002807, -0.001894, 0.002009, -0.000846, 0.000369, 0.001862, 0.001156, -0.004153, -0.002672, -0.002455, 0.000121, -0.003995, -0.004378, -0.000175, 0.000356, -9.3e-05, -0.002881, -0.001589, 0.000128, -0.003637, 0.00102, -0.002544, -0.001539, 0.000555, -0.000704, 0.000242, -0.001395, 0.003588, 0.001539, 0.000555, 0.000704, 0.001459, 0.007384, -0.000947, -0.003559, -0.00272, -0.004817, 0.001632, 0.003379, 0.002859, 0.002881, -0.001589, -0.000128, -0.000369, 0.001862, -0.001156, 0.000633, -0.000215, -0.002329, -0.004383, -0.000296, 0.000811, -0.00447, -0.00529, 0.0017, -0.000633, -0.000215, 0.002329, -0.000553, -0.003647, 0.001088, 0.002395, 0.002332, -0.003109, -0.000121, -0.003995, 0.004378, 0.001894, 0.002009, 0.000846, 0.003559, -0.00272, 0.004817, 0.000175, 0.000356, 9.3e-05, 0.000553, -0.003647, -0.001088, 0.003456, -0.002735, -0.002807, 0.004153, -0.002672, 0.002455, 0.00447, -0.00529, -0.0017, -0.001632, 0.003379, -0.002859, -0.000242, -0.001395, -0.003588, 0.011672, 0.001748, 0.001825, 8e-05, -0.003231, 0.006956, -0.000987, -0.002921, -0.003929, 0.00189, 0.000286, -0.003545, -0.001346, -0.002248, -0.003914, 0.006989, 0.007552, -0.009598, 0.001061, 0.000106, 0.001667, -0.008033, -0.003217, -0.000457, -0.009578, 0.001858, -0.000829, -0.000644, 0.000962, 0.005091, 0.003401, 0.002762, -0.00313, -0.003374, 0.006318, -0.001248, -0.005936, -0.000698, 0.000814, -0.008548, -0.003149, 0.003162, 0.004392, 0.000333, -0.002353, 0.004167, -0.00144, 0.005871, 0.003114, -0.002862, -0.007938, 0.001943, -0.006387, 0.002342, 0.005936, -0.000698, -0.000814, -0.001061, 0.000106, -0.001667, 0.002739, -0.002662, -0.002949, -0.000709, -0.004315, 0.000844, 0.008033, -0.003217, 0.000457, 0.001035, 0.004131, 4e-06, 0.000709, -0.004315, -0.000844, 0.001346, -0.002248, 0.003914, 0.009578, 0.001858, 0.000829, 0.003956, -0.001419, 0.001326, -0.000916, 0.001406, 0.00568, -0.00482, 0.001988, -0.003589, -0.001943, -0.006387, -0.002342, 0.008548, -0.003149, -0.003162, -0.001412, 0.009049, -0.006117, -0.00189, 0.000286, 0.003545, 0.003364, -0.001973, -0.001705, -0.005031, -0.001902, -0.000592, 0.001412, 0.009049, 0.006117, -0.011672, 0.001748, -0.001825, -0.006097, 0.001959, 0.00257, -0.003956, -0.001419, -0.001326, -0.006989, 0.007552, 0.009598, -0.004167, -0.00144, -0.005871, -0.001124, 0.002601, -0.003945, -0.003401, 0.002762, 0.00313, 0.003555, 0.001022, 0.005136, 0.000916, 0.001406, -0.00568, 0.000987, -0.002921, 0.003929, -0.003555, 0.001022, -0.005136, -0.003364, -0.001973, 0.001705, -8e-05, -0.003231, -0.006956, -0.003114, -0.002862, 0.007938, 0.006097, 0.001959, -0.00257, 0.000644, 0.000962, -0.005091, 0.001124, 0.002601, 0.003945, -0.004392, 0.000333, 0.002353, -0.002739, -0.002662, 0.002949, 0.005031, -0.001902, 0.000592, 0.00482, 0.001988, 0.003589, -0.001035, 0.004131, -4e-06, 0.003374, 0.006318, 0.001248]]},
 "free_energy": -666.35445572,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.336418626484253,
 "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", [6.84033, 13.65031, 8.9468, 7.48356, 14.16128, 11.0038, 5.48094, 11.88835, 9.38242, 9.6359, 14.79936, 11.06568, 6.54224, 10.17782, 13.55984, 5.83626, 10.97799, 7.39508, 7.35714, 12.22967, 6.55389, 5.94655, 8.41104, 12.30837, 8.41594, 9.79519, 14.67798, 5.83111, 8.87833, 7.71703, 9.38647, 11.84012, 14.54044, 10.3641, 14.79936, 8.93432, 8.56708, 11.00717, 5.30815, 7.45018, 6.79063, 12.73552, 11.43292, 11.00717, 14.69185, 12.51644, 14.16128, 8.9962, 7.22193, 8.01581, 6.33565, 6.55772, 6.55347, 9.16294, 10.61353, 11.84012, 5.45956, 12.64286, 12.22967, 13.44611, 8.89958, 8.8921, 5.37278, 13.15967, 13.65031, 11.0532, 7.73006, 5.66083, 10.81579, 11.10042, 8.8921, 14.62722, 8.01218, 6.27112, 7.44652, 14.51906, 11.88835, 10.61758, 11.58406, 9.79519, 5.32202, 14.16374, 10.97799, 12.60492, 12.77807, 8.01581, 13.66435, 14.16889, 8.87833, 12.28297, 11.98782, 6.27112, 12.55348, 13.45776, 10.17782, 6.44016, 14.05345, 8.41104, 7.69163, 12.26994, 5.66083, 9.18421, 13.44228, 6.55347, 10.83706, 12.54982, 6.79063, 7.26448, 8.06822, 12.27887, 11.80471, 6.72259, 10.7145, 10.58956, 7.22825, 11.1392, 11.78985, 7.46148, 12.81654, 9.3275, 8.09027, 13.30167, 10.67769, 6.52965, 11.54519, 9.36473, 9.61554, 13.7701, 10.67166, 8.46953, 12.46627, 8.28728, 9.25521, 12.2088, 12.48484, 7.33833, 10.01963, 12.81502, 6.74278, 10.77866, 7.98238, 6.77779, 9.28457, 10.566, 10.25288, 12.87404, 11.70251, 7.89629, 11.55414, 7.24624, 6.9411, 8.73321, 11.95893, 8.68215, 9.98374, 13.61982, 6.82525, 9.22288, 8.06253, 9.57977, 11.2805, 13.60905, 9.74712, 12.87404, 8.29749, 10.38446, 13.7701, 9.32834, 6.98006, 8.61401, 9.42223, 8.90334, 10.79097, 6.33123, 11.53047, 12.46627, 11.71272, 7.87263, 7.49801, 12.00326, 11.09666, 10.79097, 13.66877, 11.90973, 13.30167, 9.32231, 10.74479, 12.2088, 7.51516, 9.62298, 8.91858, 13.17271, 7.83155, 8.43025, 7.1497, 7.43929, 7.19871, 9.34339, 10.42023, 11.2805, 6.39095, 12.10371, 11.55414, 12.75376, 8.9655, 9.22256, 6.4276, 12.53852, 12.81654, 10.6725, 9.26848, 7.84199, 12.45523, 8.11813, 6.67934, 10.65608, 11.0345, 9.22256, 13.5724, 11.93178, 12.27887, 8.19529, 8.29136, 7.17363, 8.01697, 10.37702, 8.91858, 6.82729, 13.47035, 11.54519, 10.63527, 11.31785, 9.98374, 6.38018, 9.63587, 6.58212, 10.60701, 13.25722, 10.77866, 12.01762, 10.23937, 7.07652, 11.73322, 12.16845, 8.43025, 12.8503, 12.77175, 11.1392, 8.21015, 9.76063, 7.07652, 8.26678, 10.73152, 7.84199, 7.54477, 13.27741, 10.7145, 9.41044, 13.17475, 9.22288, 11.93747, 11.70864, 7.17363, 11.98303, 12.66167, 10.01963, 7.18498, 10.36413, 6.58212, 9.39299, 13.0589, 8.73321, 8.04107, 13.01994, 8.61401, 10.57777, 11.88187, 6.67934, 9.34392, 12.56071, 7.19871, 10.65661, 12.12737, 7.49801, 7.99674, 13.22221, 9.28457, 9.434]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00010643021361456132, 8.572088633488067e-05, 0.0001025230289017584, -0.0, 7.258875113402229e-06, -0.0]]},
 "unique_id": "cff40d0137e786fb017ae8d9f1d92c21",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}