{"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": 20.636157669891396,
 "energy": -619.4655759,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.001749, 0.004585, -0.000794, -0.003126, 0.001074, 0.001954, 0.002354, -0.000402, 0.004581, -0.003598, 0.001501, -0.001353, 0.004525, 0.003093, -0.004189, -0.002113, -0.002554, -0.002029, 0.006313, 0.005784, -0.004666, 0.001872, -0.001289, 0.0078, -0.002794, -0.003911, -0.005014, 0.005789, -0.003386, -0.000612, 0.006136, -0.004085, 0.00031, 0.003212, -0.004236, -0.000901, -0.005789, 0.003386, 0.000612, -0.003212, 0.004236, 0.000901, -0.006136, 0.004085, -0.00031, 0.002794, 0.003911, 0.005014, -0.001872, 0.001289, -0.0078, -0.006313, -0.005784, 0.004666, -0.002354, 0.000402, -0.004581, 0.002113, 0.002554, 0.002029, -0.004525, -0.003093, 0.004189, 0.003598, -0.001501, 0.001353, 0.001749, -0.004585, 0.000794, 0.003126, -0.001074, -0.001954, -0.003022, 0.006498, 0.002473, -0.004425, 0.004611, -0.000893, 6.2e-05, 0.00164, -0.010789, -0.006918, 0.004974, -2.2e-05, 0.000399, -0.007887, -0.003064, 0.002712, 0.001621, 0.002686, 0.001894, -0.00696, 0.003522, 0.004335, 0.007197, 0.01452, -0.009164, -0.007624, 0.001883, 0.000161, -0.000581, -0.004447, 0.008275, 0.006115, 0.002023, 0.003994, 0.004951, 0.003291, 0.00741, -0.002646, 0.001671, 0.002262, -0.010691, -0.011585, -0.003337, -0.00321, -0.013179, -0.002019, -0.005844, -0.005512, 0.005863, 0.004538, -0.006923, 0.004235, 0.007399, -0.002291, 0.004292, -0.001453, 0.000466, 0.000922, -0.002531, -0.000143, 0.005875, -0.00376, 0.007457, -0.004562, 0.004416, -0.001166, -0.0035, 0.005695, 0.003964, -0.008066, -0.00337, 0.004885, -0.002013, -0.002065, -0.001608, 0.001941, -0.005664, 0.004143, -0.004484, -0.012418, -0.009227, -0.002741, -0.011979, -0.01004, 0.002497, 2.3e-05, 0.001908, 0.003615, 0.00451, 0.001875, 0.002741, 0.011979, 0.01004, -0.002497, -2.3e-05, -0.001908, 0.002013, 0.002065, 0.001608, -0.003615, -0.00451, -0.001875, 0.004484, 0.012418, 0.009227, -0.001941, 0.005664, -0.004143, 0.004562, -0.004416, 0.001166, 0.008066, 0.00337, -0.004885, 0.0035, -0.005695, -0.003964, -0.004235, -0.007399, 0.002291, -0.005875, 0.00376, -0.007457, 0.002019, 0.005844, 0.005512, -0.000922, 0.002531, 0.000143, -0.005863, -0.004538, 0.006923, -0.004292, 0.001453, -0.000466, -0.002262, 0.010691, 0.011585, 0.003337, 0.00321, 0.013179, -0.00741, 0.002646, -0.001671, 0.009164, 0.007624, -0.001883, -0.003994, -0.004951, -0.003291, -0.008275, -0.006115, -0.002023, -0.004335, -0.007197, -0.01452, -0.000161, 0.000581, 0.004447, -0.001894, 0.00696, -0.003522, -6.2e-05, -0.00164, 0.010789, -0.002712, -0.001621, -0.002686, -0.000399, 0.007887, 0.003064, 0.006918, -0.004974, 2.2e-05, 0.003022, -0.006498, -0.002473, 0.004425, -0.004611, 0.000893]]},
 "free_energy": -619.46595586,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.58683802268781,
 "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", [7.41552, 13.24818, 12.74084, 5.1551, 10.75891, 10.82165, 5.97509, 11.69093, 12.60826, 6.84317, 13.68942, 8.93603, 7.48265, 14.33586, 10.8564, 5.42484, 12.05375, 9.15815, 9.66256, 14.86775, 10.83863, 6.68378, 9.84824, 13.67075, 5.94166, 10.8919, 7.30981, 8.60486, 11.0183, 5.45579, 12.12838, 13.57622, 12.51242, 7.25183, 6.86896, 12.50744, 11.39514, 8.9817, 14.54421, 12.74817, 13.13104, 7.49256, 7.87162, 6.42378, 7.48758, 14.05834, 9.1081, 12.69019, 13.31622, 10.15176, 6.32925, 10.33744, 5.13225, 9.16137, 14.02491, 8.30907, 7.39174, 14.57516, 7.94625, 10.84185, 12.51735, 5.66414, 9.1436, 13.15683, 6.31058, 11.06397, 12.58448, 6.75182, 7.25916, 14.8449, 9.24109, 9.17835, 7.83022, 12.54316, 12.00006, 6.24727, 10.79511, 10.66763, 6.83877, 11.32953, 12.03595, 7.42256, 12.84116, 9.33932, 8.01914, 13.39512, 10.67931, 6.41533, 11.61994, 9.34475, 9.57083, 13.78003, 10.64626, 8.41647, 12.47667, 8.26864, 9.24077, 12.26084, 12.44447, 7.35372, 10.0269, 12.80585, 6.77247, 10.77639, 8.0344, 6.70384, 9.36132, 10.61867, 10.1707, 12.98311, 11.78621, 8.0346, 11.42928, 7.5098, 7.21474, 8.91594, 11.78523, 8.77899, 10.02553, 13.30169, 7.05256, 9.30351, 8.20612, 9.61167, 11.1272, 13.24113, 9.76638, 12.95954, 8.23945, 10.34721, 13.45081, 9.39399, 6.88974, 8.62716, 9.40077, 8.93413, 10.78174, 6.48832, 11.65248, 12.75338, 11.94062, 7.88534, 7.57413, 11.93137, 11.00492, 10.71813, 13.28801, 11.72799, 13.01788, 9.42708, 10.75008, 12.26722, 7.42468, 9.59843, 8.83289, 13.30048, 8.04763, 8.60576, 7.42024, 7.69311, 7.4165, 9.41823, 10.40157, 11.16711, 6.69952, 11.95237, 11.39424, 12.57976, 8.99508, 9.28187, 6.71199, 12.30689, 12.5835, 10.58177, 9.24992, 7.73278, 12.57532, 8.27201, 6.98212, 10.57292, 11.06587, 9.21826, 13.51168, 12.11466, 12.42587, 8.06863, 8.34752, 7.24662, 8.05938, 10.38833, 8.8728, 6.75887, 13.11026, 11.37284, 10.59923, 11.22101, 9.97447, 6.69831, 9.65279, 6.54919, 10.60601, 12.94744, 10.69649, 11.79388, 10.23362, 7.04046, 11.76055, 11.9654, 8.57072, 12.4902, 12.78526, 11.08406, 8.21477, 9.8293, 7.01689, 8.21379, 10.75923, 7.73916, 7.55553, 13.29616, 10.63868, 9.38133, 13.22753, 9.22361, 11.9656, 11.58353, 7.52333, 11.73136, 12.64628, 9.9731, 7.19415, 10.42917, 6.21997, 9.35374, 13.16123, 8.67047, 7.96405, 13.58467, 8.38006, 10.65525, 11.98086, 6.60488, 9.32069, 12.57744, 7.15884, 10.66068, 12.16978, 7.45684, 7.99994, 13.75273, 9.20489, 9.33237]]},
 "stress": {"__ndarray__": [[6], "float64", [8.870432769705287e-05, 9.79667272398636e-05, 9.810404044063304e-05, 1.6539999183590632e-05, -1.2152218268094704e-05, -1.2258323923234718e-05]]},
 "unique_id": "7a2507ecc992bf2a99d4f935378e9c27",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}