{"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": 20.63615827987161,
 "energy": -611.69708333,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.005815, -0.002967, -0.00331, 0.005928, -0.000944, -9.1e-05, 0.008284, -0.001662, -0.002611, 0.008111, -0.007294, 0.00101, 0.00889, -0.006951, -0.004064, 0.011547, -0.007866, -1.2e-05, 0.005203, -0.001092, -0.00935, 0.011204, 0.001089, 0.003168, 0.003608, -0.004913, -0.009103, 0.004555, -0.009967, 0.006972, 0.005643, -0.011394, 0.001378, 0.010353, -0.000542, -0.002039, -0.011531, -0.001159, -0.002385, -0.006489, 0.007716, -0.00909, -0.00039, 0.011835, -0.001933, -0.006535, 0.002926, 0.010811, -0.01333, 0.001181, -0.005511, -0.003457, 0.007229, 0.01224, -0.001473, 0.001007, -0.001601, 0.001147, 0.001796, 0.00447, -0.003959, -0.002138, 0.002153, -0.004762, -0.000414, 0.004436, -0.001439, -5e-06, -0.000893, -0.000978, 0.002481, 0.002528, -0.004372, -0.004693, 0.002426, 0.002933, 0.007854, -0.006322, -5.5e-05, -0.00307, -0.006187, 0.005472, -0.001421, 0.004597, -0.002861, -0.002669, -0.002805, 0.001699, -0.003895, -0.002658, -0.011417, -0.009863, -0.00522, -0.005287, 0.002955, 0.01732, -0.01209, -0.007949, -0.004373, 7.8e-05, 0.019659, -0.008307, -0.003369, 0.004076, 0.019822, 0.003948, 0.012356, -0.011372, -0.005069, 0.009578, 0.004302, -0.012931, 0.010272, -0.000499, -0.005149, -0.004187, -0.00027, -0.00683, 0.007416, 0.001396, -0.012341, -7.3e-05, -0.000135, -0.006635, 0.00223, -0.005486, -0.003264, 0.002659, 0.000783, -0.007266, 0.002571, -0.003356, -0.007094, 0.011841, 0.002574, -0.017737, 0.010876, 0.005994, -0.012984, 0.009281, 0.009892, -0.022504, 0.003349, 0.007261, -0.000131, 0.003979, 0.00763, 0.004702, 0.010784, 0.003829, -0.001428, 0.003197, -0.008629, -0.003284, 0.001014, 0.007167, -0.000393, -0.000422, -0.011357, -0.006694, 0.001152, -0.004051, 0.002579, 0.008658, 0.000705, 0.000535, -0.001709, 0.003432, -0.004524, -0.007795, -9.9e-05, 0.003911, 0.00237, -0.002113, 0.000102, 0.003124, 0.001435, -0.005907, 0.001502, -0.006247, 0.004609, -0.007797, -0.008027, 0.000883, -0.009708, -0.000976, 0.009171, -0.004674, 0.002293, 0.015854, 6.6e-05, 0.007395, 0.002314, -0.026585, -0.004641, 0.008883, -0.018867, 0.011396, 0.016944, 0.006811, 0.002595, 0.002631, -0.00241, -0.00998, 0.00815, -8e-05, -0.015278, -0.002483, 0.004802, 0.009469, -0.001311, 0.012895, -0.000809, -0.014598, 0.006739, -0.004141, -0.000596, -0.003432, 0.00753, 0.002534, 0.002173, 0.00706, 0.00198, -0.010658, 0.000297, 0.01122, 0.003109, 0.003765, 0.002472, -0.000627, -0.000917, 0.006437, 0.001309, -0.000204, 0.007807, -0.010279, -0.000655, 0.005804, -3.2e-05, -0.00333, 0.004758, -0.003171, 0.000343, 0.005902, -0.007064, -0.006143, 0.011497, -0.003697, -0.004869, 0.008847, -0.011786, -0.000419]]},
 "free_energy": -611.91542962,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.57828777371874,
 "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", [7.42191, 13.23101, 12.6903, 5.20114, 10.77927, 10.83349, 6.13199, 11.45349, 12.68994, 6.84271, 13.64639, 8.96237, 7.77815, 14.3266, 10.83506, 5.55964, 11.8797, 8.96108, 8.12506, 9.90249, 14.63226, 5.86409, 9.1612, 7.32558, 9.51123, 11.81029, 14.63477, 9.52596, 14.19711, 7.32855, 10.5299, 14.92687, 9.33628, 5.4767, 7.98147, 9.33419, 10.60819, 11.62176, 5.39086, 12.7533, 11.90602, 13.60936, 8.64698, 8.92589, 5.39111, 13.30217, 13.57254, 10.77431, 9.03314, 6.79035, 13.60523, 7.616, 5.75412, 10.76984, 13.91132, 8.48336, 7.29814, 14.49936, 8.09064, 11.00272, 12.29249, 5.64383, 9.17408, 13.20025, 6.3068, 11.00212, 12.64871, 6.74766, 7.29681, 14.85055, 9.16289, 9.17616, 7.87243, 12.49778, 11.98582, 6.29738, 10.76762, 10.64547, 6.969, 11.25327, 11.98534, 7.47449, 12.81225, 9.3396, 8.12857, 13.28798, 10.64623, 6.54784, 11.5365, 9.33951, 9.63165, 13.31199, 10.5171, 8.52202, 12.50544, 8.29823, 9.2554, 12.15804, 12.48352, 7.71862, 10.04194, 12.48103, 7.16517, 10.63502, 8.2992, 6.73796, 9.3313, 10.51383, 10.24929, 12.74508, 11.66072, 8.23842, 11.2839, 7.63753, 7.46535, 8.91594, 11.65728, 8.64658, 9.99539, 13.65572, 6.75406, 9.22847, 7.98772, 9.5848, 11.28738, 13.65747, 9.73532, 13.32864, 7.98925, 10.4143, 13.82187, 9.34604, 6.49319, 8.43006, 9.34229, 9.00958, 10.72357, 6.61682, 11.62788, 12.62341, 11.85299, 8.00361, 7.64073, 11.84889, 10.96557, 10.73021, 13.34584, 11.72718, 13.05463, 9.39438, 10.74025, 12.33869, 7.42052, 9.60072, 8.85338, 13.34314, 8.00627, 8.57934, 7.42028, 7.62434, 7.41343, 9.38948, 10.42105, 11.2535, 6.42516, 12.11546, 11.52213, 12.78032, 8.94067, 9.21721, 6.42531, 12.52979, 12.78134, 10.6394, 9.20127, 7.51568, 12.77653, 8.13061, 6.73259, 10.63521, 10.89373, 9.34795, 13.19157, 11.84177, 12.2446, 8.26742, 8.43278, 7.55709, 8.26448, 10.40247, 8.83794, 6.69086, 13.18718, 11.39625, 10.60303, 11.23133, 9.97845, 6.69119, 9.65183, 6.53487, 10.59954, 12.95608, 10.69147, 11.80238, 10.25013, 6.97274, 11.79903, 11.90473, 8.61276, 12.45647, 12.71478, 11.08643, 8.25011, 9.80319, 7.08242, 8.24762, 10.76535, 7.72524, 7.45379, 13.3824, 10.68452, 9.41656, 12.9266, 9.29544, 11.78032, 11.56922, 7.43166, 11.77804, 12.4009, 9.97407, 7.4551, 10.39035, 6.56879, 9.41354, 13.0893, 8.72871, 7.98703, 13.50498, 8.42852, 10.6749, 11.90478, 6.66128, 9.33188, 12.57323, 7.14927, 10.67382, 12.16171, 7.45341, 7.98621, 13.7629, 9.21664, 9.33371]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00011632300557908628, 0.0001335433292573982, 0.00011412599436677538, -3.1519621085710453e-06, 6.37882232665269e-06, 1.607188599914939e-05]]},
 "unique_id": "93eecb0e8ebfc10da7bf2af5d11045e6",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}