{"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": 20.636163974177464,
 "energy": -606.87308888,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.005378, 0.00383, -0.002593, 0.004658, 0.001806, 0.003546, 0.005036, -0.005527, 0.001579, 0.001028, 0.004366, -0.000385, 0.002226, 0.008325, -0.002693, -0.001253, -0.000164, -0.000721, -0.004848, 0.002321, -0.001502, -0.003992, -0.001542, 0.003885, -0.002478, 0.005885, -0.000223, 0.005322, -0.003025, 0.000997, 0.007107, -0.005194, -0.000434, 0.002933, -0.004722, -0.003744, -0.005322, 0.003025, -0.000997, -0.002933, 0.004722, 0.003744, -0.007107, 0.005194, 0.000434, 0.004848, -0.002321, 0.001502, 0.002478, -0.005885, 0.000223, 0.003992, 0.001542, -0.003885, 0.001253, 0.000164, 0.000721, -0.002226, -0.008325, 0.002693, -0.001028, -0.004366, 0.000385, -0.005036, 0.005527, -0.001579, -0.005378, -0.00383, 0.002593, -0.004658, -0.001806, -0.003546, -0.00983, 0.01085, -0.001597, -0.000809, 0.010753, 0.005309, 0.008741, -0.001008, -0.003537, 0.00149, -0.004045, 0.002659, 0.008649, 0.00041, -0.000435, 0.005038, -0.007943, -0.005319, -0.00335, -0.005571, -0.00158, -0.0061, -0.002257, 0.007053, 0.000855, 0.006094, -0.004327, 0.003973, 0.009284, -0.009148, 0.000464, 0.002777, 0.00314, 0.000507, 0.005353, 0.004525, 0.003013, -2e-05, 0.000323, -0.000914, -0.003641, -0.003377, 0.002958, 0.006314, -0.006904, -0.004287, -0.006385, 0.001589, -0.003527, 0.000478, -0.004433, 0.007876, 0.001984, 0.003493, 0.004022, -0.001627, -0.004959, -0.001221, 0.004662, 0.002671, 0.001384, -0.001476, -0.000654, -0.001445, -0.005996, -0.005777, 0.006516, 0.006299, -0.001036, 0.001767, 0.000576, 0.007606, 0.002164, 0.002093, -0.00941, 0.008321, 0.001111, 0.003408, -0.000468, -0.008267, 0.00288, 0.001265, -0.005571, -0.001104, 0.003151, 0.001964, -0.000679, 0.004035, 0.00431, 0.005875, -0.001265, 0.005571, 0.001104, -0.003151, -0.001964, 0.000679, -0.002164, -0.002093, 0.00941, -0.004035, -0.00431, -0.005875, 0.000468, 0.008267, -0.00288, -0.008321, -0.001111, -0.003408, 0.001445, 0.005996, 0.005777, -0.001767, -0.000576, -0.007606, -0.006516, -0.006299, 0.001036, -0.007876, -0.001984, -0.003493, -0.001384, 0.001476, 0.000654, 0.004287, 0.006385, -0.001589, 0.001221, -0.004662, -0.002671, 0.003527, -0.000478, 0.004433, -0.004022, 0.001627, 0.004959, 0.000914, 0.003641, 0.003377, -0.002958, -0.006314, 0.006904, -0.003013, 2e-05, -0.000323, -0.000855, -0.006094, 0.004327, -0.000507, -0.005353, -0.004525, -0.000464, -0.002777, -0.00314, 0.0061, 0.002257, -0.007053, -0.003973, -0.009284, 0.009148, 0.00335, 0.005571, 0.00158, -0.008741, 0.001008, 0.003537, -0.005038, 0.007943, 0.005319, -0.008649, -0.00041, 0.000435, -0.00149, 0.004045, -0.002659, 0.00983, -0.01085, 0.001597, 0.000809, -0.010753, -0.005309]]},
 "free_energy": -607.15202207,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.57792209806669,
 "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", [7.21759, 13.1712, 12.61167, 5.20291, 10.99568, 10.75989, 6.78691, 13.68149, 9.1824, 9.54137, 14.82733, 10.85105, 6.64189, 9.94931, 13.59226, 5.92583, 10.96644, 7.41631, 9.32147, 11.64855, 14.57597, 9.56263, 14.24986, 7.57829, 5.51647, 8.17226, 9.1634, 11.54402, 11.00478, 14.54862, 11.09551, 13.05679, 6.32191, 6.86849, 6.29526, 9.24413, 8.45598, 8.99522, 5.45138, 13.13151, 13.70474, 10.75587, 8.90449, 6.94321, 13.67809, 10.67853, 8.35145, 5.42403, 14.48353, 11.82774, 10.8366, 10.43737, 5.75014, 12.42171, 14.07417, 9.03356, 12.58369, 13.35811, 10.05069, 6.40774, 10.45863, 5.17267, 9.14895, 13.21309, 6.31851, 10.8176, 12.78241, 6.8288, 7.38833, 14.79709, 9.00432, 9.24011, 7.85533, 12.48437, 11.97851, 6.30741, 10.78628, 10.63142, 7.15678, 11.16813, 11.82946, 7.48248, 12.80741, 9.36466, 8.2444, 13.05862, 10.62844, 6.7887, 11.45891, 9.38438, 9.59203, 13.72719, 10.65446, 8.40691, 12.56062, 8.17089, 9.26358, 12.3216, 12.55544, 7.38699, 10.00746, 12.75906, 6.83055, 10.77311, 8.04565, 6.59971, 9.28331, 10.62547, 10.22658, 12.99282, 11.83161, 8.06443, 11.43974, 7.44488, 7.20306, 8.8469, 11.78586, 8.79779, 10.00383, 13.26698, 7.09717, 9.30612, 8.20819, 9.58314, 11.26462, 13.56778, 9.72729, 13.2551, 8.04281, 10.36631, 13.41352, 9.40849, 6.56439, 8.47941, 9.36217, 9.00543, 10.72152, 6.69123, 11.56947, 12.58543, 11.81772, 8.02615, 7.71051, 11.81877, 11.09199, 10.77014, 13.57054, 11.65041, 12.93502, 9.40883, 10.82164, 12.46165, 7.20917, 9.62187, 8.91075, 13.21581, 8.07788, 8.63115, 7.53051, 7.49744, 7.19372, 9.35873, 10.37813, 11.08925, 6.78419, 11.92212, 11.36885, 12.46949, 8.90801, 9.22986, 6.42946, 12.50256, 12.80628, 10.64127, 9.17836, 7.53835, 12.79083, 8.34959, 7.06498, 10.59117, 10.99457, 9.27848, 13.30877, 11.97385, 12.28949, 8.18123, 8.43053, 7.41457, 8.18228, 10.41686, 8.73538, 6.43222, 13.43561, 11.52059, 10.63783, 11.20221, 9.99617, 6.73302, 9.63369, 6.58648, 10.59151, 12.90283, 10.69388, 11.79181, 10.27271, 6.7449, 11.95719, 11.93557, 8.56026, 12.55512, 12.79694, 11.1531, 8.21414, 9.77342, 7.00718, 8.16839, 10.73642, 7.6784, 7.44456, 13.40029, 10.71669, 9.37453, 13.16945, 9.22689, 11.95435, 11.59309, 7.43938, 11.82911, 12.61301, 9.99254, 7.24094, 10.40797, 6.27281, 9.34554, 12.84322, 8.83187, 8.17054, 13.2113, 8.54109, 10.61562, 11.7556, 6.94138, 9.37156, 12.51752, 7.19259, 10.63534, 12.14467, 7.51563, 8.02149, 13.69259, 9.21372, 9.36858]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00010061312710923813, 0.00011260930764918573, 0.00010095016860203582, -6.690897782946853e-06, -6.678414764695085e-07, -1.4935931338238637e-05]]},
 "unique_id": "c985009e3a66cb0bb2a410fe4ee0f779",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}