{"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": 20.636175010203335,
 "energy": -591.69516634,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.00145, -0.000653, -0.003299, -0.000753, -0.002585, -0.002075, 0.000472, -0.002623, -0.006078, -4.6e-05, 0.001819, 0.000397, 0.00093, -0.001388, -0.002005, -0.000412, -0.001705, -0.00353, 0.002588, 0.000904, 0.001065, -0.002843, -0.000859, 0.000617, 0.005597, -0.001333, -0.000354, 0.002843, 0.000859, -0.000617, -0.005597, 0.001333, 0.000354, -0.002588, -0.000904, -0.001065, -0.00093, 0.001388, 0.002005, 0.000412, 0.001705, 0.00353, 4.6e-05, -0.001819, -0.000397, -0.000472, 0.002623, 0.006078, -0.00145, 0.000653, 0.003299, 0.000753, 0.002585, 0.002075, -0.005961, -0.007776, 0.003249, -0.003609, 0.002601, -0.014535, -0.005195, -0.005746, -0.003908, 0.00765, 0.00502, 0.004486, -7.7e-05, 0.000849, 0.002242, 0.007942, 0.006863, -0.006882, -0.002147, 0.001033, -0.001679, -0.008693, -0.006864, -0.002778, -0.000676, 4.3e-05, -0.004113, 0.000468, 0.007735, -0.004641, -0.00507, 0.000599, 8.5e-05, 0.000808, 2.3e-05, 0.000839, -0.00591, 0.00412, -0.000686, -0.005433, -0.000905, -0.004242, -0.006934, 0.000799, 0.005455, 0.002306, -0.002457, 0.006199, 0.002713, 0.004664, 0.001012, -0.004792, -0.001472, -0.006333, 0.006513, -0.004122, 0.000123, -0.003756, 3e-05, -0.006458, -0.004749, 0.002849, 0.006675, -0.003927, 0.000583, 0.009457, -0.008512, 0.001848, -0.000226, -0.001674, 0.001827, -0.004406, 0.004683, -0.000981, 0.004876, -0.001098, -0.004025, -0.001039, -0.002716, 0.000149, -0.006405, 0.005604, 0.000547, -0.000571, 0.004295, -0.009559, 0.003871, 0.000288, -0.007416, 0.004243, -0.005604, -0.000547, 0.000571, -0.004295, 0.009559, -0.003871, -0.004683, 0.000981, -0.004876, -0.000288, 0.007416, -0.004243, 0.002716, -0.000149, 0.006405, 0.001098, 0.004025, 0.001039, 0.003927, -0.000583, -0.009457, 0.001674, -0.001827, 0.004406, 0.008512, -0.001848, 0.000226, 0.004792, 0.001472, 0.006333, 0.004749, -0.002849, -0.006675, -0.002306, 0.002457, -0.006199, 0.003756, -3e-05, 0.006458, -0.002713, -0.004664, -0.001012, -0.006513, 0.004122, -0.000123, 0.005433, 0.000905, 0.004242, 0.006934, -0.000799, -0.005455, 0.00591, -0.00412, 0.000686, 0.000676, -4.3e-05, 0.004113, -0.000808, -2.3e-05, -0.000839, 0.00507, -0.000599, -8.5e-05, 0.008693, 0.006864, 0.002778, -0.000468, -0.007735, 0.004641, 0.002147, -0.001033, 0.001679, 0.005195, 0.005746, 0.003908, -0.007942, -0.006863, 0.006882, 7.7e-05, -0.000849, -0.002242, -0.00765, -0.00502, -0.004486, 0.005961, 0.007776, -0.003249, 0.003609, -0.002601, 0.014535]]},
 "free_energy": -591.87040242,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 25.075329116269444,
 "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", [7.1664, 13.19283, 12.54028, 5.21621, 11.07113, 10.79205, 6.71998, 13.65202, 9.23082, 10.34162, 14.24967, 12.49524, 7.2322, 11.94009, 6.39833, 6.11376, 8.39435, 12.59137, 12.42061, 14.16629, 9.20827, 9.4636, 8.35679, 14.56641, 7.32258, 8.05345, 6.41075, 10.5364, 11.64321, 5.43359, 12.67742, 11.94655, 13.58925, 7.57939, 5.83371, 10.79173, 12.7678, 8.05991, 13.60167, 13.88624, 11.60565, 7.40863, 9.65838, 5.75033, 7.50476, 13.28002, 6.34798, 10.76918, 12.8336, 6.80717, 7.45972, 14.78379, 8.92887, 9.20795, 7.84208, 12.49639, 11.98966, 6.28321, 10.78654, 10.63354, 7.17776, 11.14651, 11.81723, 7.46246, 12.82867, 9.35431, 8.26485, 13.03043, 10.62304, 6.82115, 11.44346, 9.37997, 9.59236, 13.42708, 10.60639, 8.38549, 12.64239, 8.14194, 9.22884, 12.35083, 12.63091, 7.57522, 10.02663, 12.53011, 7.07458, 10.72985, 8.21923, 6.51795, 9.26967, 10.60752, 10.25204, 13.27417, 11.97606, 7.87817, 11.54657, 7.20894, 6.96244, 8.74426, 11.96953, 8.73194, 10.03225, 13.31911, 7.01994, 9.33086, 8.19114, 9.60519, 11.16599, 13.20415, 9.72009, 12.93134, 8.23759, 10.3243, 13.48873, 9.4141, 6.89685, 8.64798, 9.44789, 9.01024, 10.69165, 6.68383, 11.58808, 12.58824, 11.79883, 8.05007, 7.70206, 11.8357, 10.97843, 10.66026, 13.22942, 11.82426, 13.24448, 9.36017, 10.77149, 12.22914, 7.49978, 9.57147, 8.78523, 13.54983, 7.883, 8.49546, 7.25887, 7.75835, 7.46614, 9.38684, 10.42853, 11.21477, 6.45017, 12.117, 11.50454, 12.74113, 9.02157, 9.33974, 6.77058, 12.24165, 12.53386, 10.61316, 9.22851, 7.77086, 12.50022, 8.17574, 6.75552, 10.63983, 10.98976, 9.30835, 13.31617, 11.94993, 12.29794, 8.1643, 8.41192, 7.41176, 8.20117, 10.39481, 8.83401, 6.79585, 13.10315, 11.35202, 10.55211, 11.26806, 9.96775, 6.68089, 9.6757, 6.51127, 10.5859, 12.98006, 10.66914, 11.80886, 10.27991, 7.06866, 11.76241, 12.12183, 8.45343, 12.79106, 13.03756, 11.25574, 8.03047, 9.74796, 6.72583, 8.02394, 10.77116, 7.64917, 7.36909, 13.48205, 10.73033, 9.39248, 12.92542, 9.27015, 11.78077, 11.61451, 7.35761, 11.85806, 12.42478, 9.97337, 7.46989, 10.40764, 6.57292, 9.39361, 12.82224, 8.85349, 8.18277, 13.17885, 8.55654, 10.62003, 11.73515, 6.96957, 9.37696, 12.53754, 7.17133, 10.64569, 12.15792, 7.50361, 8.01034, 13.71679, 9.21346, 9.36646]]},
 "stress": {"__ndarray__": [[6], "float64", [4.69361486266421e-05, 0.00010704812301802376, 8.987148990359304e-05, -1.7913131191284953e-06, -3.5951092565087566e-06, -1.0011380637916746e-05]]},
 "unique_id": "279f0fbc757818e9193c863316a1367a",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}