{"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": 20.636176350753008,
 "energy": -588.76435946,
 "forces": {"__ndarray__": [[78, 3], "float64", [-0.006181, -0.003784, 0.000509, -0.003491, 0.00015, 0.00235, 0.00443, 0.005263, -0.002965, -0.006748, -0.000465, 0.00089, 0.001262, -0.002202, -0.003774, -0.003228, 0.002819, -0.00209, 0.000654, -0.000781, 0.004232, 0.004737, 0.004483, 0.000634, -0.000398, 0.006407, -0.000445, -0.004737, -0.004483, -0.000634, 0.000398, -0.006407, 0.000445, -0.000654, 0.000781, -0.004232, 0.003228, -0.002819, 0.00209, -0.001262, 0.002202, 0.003774, -0.00443, -0.005263, 0.002965, 0.006748, 0.000465, -0.00089, 0.006181, 0.003784, -0.000509, 0.003491, -0.00015, -0.00235, -0.006304, 0.003229, -0.00056, 2.2e-05, -0.002596, -0.006735, 0.004116, 0.000904, -0.001094, -0.001471, 0.00374, 0.000506, -0.002171, 0.001854, 0.003339, 0.000591, 0.003278, -0.002696, -0.002685, 0.00078, 0.006679, -0.00165, 0.002544, 0.001035, -4.1e-05, 0.003919, 0.005993, 0.00516, -0.0027, 0.002295, -0.004967, 0.002294, 0.001222, 0.003462, 0.003167, -0.002951, -0.001595, 0.001051, -0.000727, 0.000784, -0.000606, -0.006652, 0.002485, 0.000156, -0.003356, 0.002708, 0.00213, -0.001885, -0.001435, -0.005945, 0.002337, 0.002161, -7.5e-05, 0.002935, -0.007137, -0.002934, -0.003745, -0.002183, 0.001378, 0.00495, 0.005233, 0.00493, -0.004574, 0.006248, 0.00167, -0.003236, -0.003755, 0.00289, 0.00153, 0.002206, 0.003796, 0.001907, -0.00463, -0.000498, 0.002643, -0.000875, -0.001811, 0.009022, -0.002946, -0.005959, -0.004938, -0.004221, -0.000475, 0.000413, 0.008615, -0.002264, -0.004509, 0.004168, -0.000363, -0.002147, 0.004221, 0.000475, -0.000413, -0.008615, 0.002264, 0.004509, 0.00463, 0.000498, -0.002643, -0.004168, 0.000363, 0.002147, 0.002946, 0.005959, 0.004938, 0.000875, 0.001811, -0.009022, -0.006248, -0.00167, 0.003236, -0.002206, -0.003796, -0.001907, 0.003755, -0.00289, -0.00153, -0.002161, 7.5e-05, -0.002935, -0.005233, -0.00493, 0.004574, -0.002708, -0.00213, 0.001885, 0.002183, -0.001378, -0.00495, 0.001435, 0.005945, -0.002337, 0.007137, 0.002934, 0.003745, -0.000784, 0.000606, 0.006652, -0.002485, -0.000156, 0.003356, 0.001595, -0.001051, 0.000727, 4.1e-05, -0.003919, -0.005993, -0.003462, -0.003167, 0.002951, 0.004967, -0.002294, -0.001222, 0.00165, -0.002544, -0.001035, -0.00516, 0.0027, -0.002295, 0.002685, -0.00078, -0.006679, -0.004116, -0.000904, 0.001094, -0.000591, -0.003278, 0.002696, 0.002171, -0.001854, -0.003339, 0.001471, -0.00374, -0.000506, 0.006304, -0.003229, 0.00056, -2.2e-05, 0.002596, 0.006735]]},
 "free_energy": -589.01818671,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 25.585035138784953,
 "numbers": {"__ndarray__": [[78], "int32", [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__": [[78, 3], "float64", [7.33746, 13.26854, 12.51763, 5.23793, 10.97069, 10.73583, 7.71286, 13.5399, 7.48191, 6.68002, 9.92013, 13.62519, 5.85187, 9.08326, 7.5251, 10.54635, 14.8304, 9.2625, 12.15172, 13.66305, 12.47465, 11.2914, 10.93947, 14.64279, 11.09912, 13.13395, 6.37424, 8.7086, 9.06053, 5.35721, 8.90088, 6.86605, 13.62576, 7.84828, 6.33695, 7.52535, 9.45365, 5.1696, 10.7375, 14.14813, 10.91674, 12.4749, 12.28714, 6.4601, 12.51809, 13.31998, 10.07987, 6.37481, 12.66254, 6.73146, 7.48237, 14.76207, 9.02931, 9.26417, 7.86614, 12.4599, 11.96009, 6.33061, 10.77098, 10.64611, 7.09008, 11.19198, 11.88719, 7.68194, 12.58294, 9.41885, 8.25786, 13.00186, 10.58049, 6.84231, 11.41711, 9.37564, 9.62576, 13.44203, 10.62338, 8.31899, 12.78765, 8.03958, 9.25587, 12.27618, 12.58003, 7.3911, 9.99829, 12.77077, 7.06783, 10.72523, 8.19679, 6.63166, 9.27792, 10.59462, 10.21441, 13.01398, 11.80224, 8.06509, 11.40904, 7.41933, 7.22964, 8.84251, 11.7906, 8.80572, 9.98803, 13.31094, 6.82932, 9.23823, 8.03755, 9.61723, 11.1751, 13.29673, 9.76326, 13.13515, 8.11303, 10.39908, 13.72949, 9.35301, 6.85695, 8.58442, 9.41402, 9.0005, 10.72534, 6.7028, 11.70262, 12.78123, 11.96209, 8.04493, 7.71947, 11.79107, 11.07623, 10.78278, 13.55952, 11.72616, 12.98301, 9.40524, 10.80566, 12.48197, 7.22906, 9.62048, 8.86773, 13.31098, 7.96247, 8.51844, 7.33576, 7.68388, 7.44668, 9.41406, 10.37952, 11.13227, 6.68902, 12.03753, 11.48156, 12.66424, 8.92377, 9.21722, 6.44048, 12.31612, 12.55332, 10.58594, 9.19434, 7.51803, 12.77094, 8.27384, 7.01699, 10.59476, 10.9995, 9.27466, 13.2972, 11.95507, 12.28053, 8.20893, 8.29738, 7.21877, 8.03791, 10.38277, 8.8249, 6.70327, 13.14305, 11.41558, 10.58598, 11.19428, 10.01197, 6.68906, 9.60092, 6.27051, 10.64699, 13.17068, 10.76177, 11.96245, 10.23674, 6.86485, 11.88697, 11.93491, 8.59096, 12.58067, 12.77036, 11.15749, 8.2094, 9.78559, 6.98602, 8.19776, 10.74413, 7.72382, 7.41997, 13.36834, 10.72208, 9.40538, 12.93217, 9.27477, 11.80321, 11.68101, 7.21235, 11.96042, 12.6089, 10.00171, 7.22923, 10.37424, 6.55797, 9.37662, 12.90992, 8.80802, 8.11281, 13.15769, 8.58289, 10.62436, 11.74214, 6.99814, 9.41951, 12.31806, 7.41706, 10.58115, 12.13386, 7.5401, 8.03991, 13.66939, 9.22902, 9.35389]]},
 "stress": {"__ndarray__": [[6], "float64", [3.982082822313519e-05, 4.624334111366906e-05, 3.924036787442804e-05, -2.1077576318107764e-05, -3.8510111306699704e-06, 3.085177960924095e-05]]},
 "unique_id": "4a441e51fb7f25599c7b0bf15562096e",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}