{"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": 20.635547434655,
 "energy": -651.31457599,
 "forces": {"__ndarray__": [[96, 3], "float64", [-0.002485, 0.001227, -0.004742, -0.005645, 0.001424, 0.000373, -0.000762, 7.5e-05, 0.002266, -0.001997, 0.000184, -0.002844, -0.002511, -0.0011, -0.002353, -0.00234, 0.000258, 0.005863, -0.002241, 0.001972, 0.003068, 0.0004, -0.002142, -0.00072, 0.000968, -0.002599, 0.001736, 0.001609, -0.002926, -0.001193, -0.000529, 0.000934, 0.000186, -0.000438, 0.003018, -0.001774, -0.00409, 0.001678, -0.003539, 0.001249, -0.000354, -9.2e-05, -0.002016, 0.003946, -0.002636, 0.000877, 0.002267, -0.000604, 0.0052, 0.002886, -0.001396, -0.001107, 0.000892, -0.000219, -0.0052, -0.002886, 0.001396, 0.001107, -0.000892, 0.000219, -0.000877, -0.002267, 0.000604, 0.00409, -0.001678, 0.003539, 0.002016, -0.003946, 0.002636, -0.001249, 0.000354, 9.2e-05, -0.000968, 0.002599, -0.001736, 0.000438, -0.003018, 0.001774, 0.000529, -0.000934, -0.000186, -0.001609, 0.002926, 0.001193, -0.0004, 0.002142, 0.00072, 0.002511, 0.0011, 0.002353, 0.002241, -0.001972, -0.003068, 0.001997, -0.000184, 0.002844, 0.00234, -0.000258, -0.005863, 0.000762, -7.5e-05, -0.002266, 0.005645, -0.001424, -0.000373, 0.002485, -0.001227, 0.004742, 0.010085, 0.01092, -0.00125, -0.002375, 0.003221, -0.01067, -0.002945, -0.007184, 0.007073, 0.002758, -0.005388, -0.002994, -0.00461, 0.00122, -0.001566, -0.003616, 0.002546, 0.004837, -0.000604, -0.004251, 0.000464, -0.000915, 0.000943, 0.000465, -0.000787, -0.000488, 0.00022, -0.000471, 0.004296, 0.001481, 0.002756, 0.014163, -0.005574, 0.000528, 0.001433, -0.000997, 0.002314, 0.004422, 0.001712, -0.003608, -0.012286, -0.000555, -0.002572, -0.001513, -0.000805, -0.006159, -0.002556, -0.00286, -0.004115, -0.019763, 0.006341, -0.000843, 0.001811, -0.001488, -0.000667, 0.001557, -0.000498, -0.001536, 0.002504, -0.00018, 0.000696, -0.003401, -0.001844, 0.007128, 0.002484, -9.9e-05, 0.000213, -0.000913, -0.005123, -0.003113, -0.003374, 0.003679, -0.003369, 0.000319, -0.000797, -0.004678, -0.000855, 0.002794, 0.000313, 0.008394, 0.002985, 0.004455, 0.003818, 0.004362, 0.001519, 0.000958, -0.002501, -0.001865, -0.004093, 0.00183, -0.004455, -0.003818, -0.004362, -0.001519, -0.000958, 0.002501, 0.003369, -0.000319, 0.000797, 0.001865, 0.004093, -0.00183, -0.000313, -0.008394, -0.002985, 0.004678, 0.000855, -0.002794, -0.007128, -0.002484, 9.9e-05, 0.003113, 0.003374, -0.003679, -0.000213, 0.000913, 0.005123, 0.000843, -0.001811, 0.001488, -0.000696, 0.003401, 0.001844, 0.006159, 0.002556, 0.00286, 0.001536, -0.002504, 0.00018, 0.004115, 0.019763, -0.006341, 0.000667, -0.001557, 0.000498, 0.003608, 0.012286, 0.000555, 0.002572, 0.001513, 0.000805, -0.002314, -0.004422, -0.001712, 0.000787, 0.000488, -0.00022, -0.000528, -0.001433, 0.000997, -0.002756, -0.014163, 0.005574, 0.000915, -0.000943, -0.000465, 0.000471, -0.004296, -0.001481, 0.000604, 0.004251, -0.000464, 0.002945, 0.007184, -0.007073, 0.003616, -0.002546, -0.004837, 0.00461, -0.00122, 0.001566, -0.002758, 0.005388, 0.002994, -0.010085, -0.01092, 0.00125, 0.002375, -0.003221, 0.01067]]},
 "free_energy": -651.32331932,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.649330549875383,
 "numbers": {"__ndarray__": [[96], "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, 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__": [[96, 3], "float64", [7.45029, 13.9818, 10.77333, 5.64574, 11.8916, 9.22473, 9.37448, 14.9081, 10.84577, 7.65682, 13.61706, 7.42298, 8.76385, 13.27721, 13.57138, 6.75051, 10.0226, 13.54673, 5.16002, 9.04461, 10.94348, 10.34986, 14.32276, 12.60413, 9.49388, 11.54905, 14.75, 9.78886, 14.20433, 7.29879, 10.53003, 14.95737, 9.14954, 5.49696, 8.07442, 8.98021, 8.62287, 11.02885, 5.50827, 12.27312, 13.60321, 12.65487, 7.29427, 7.04022, 12.62689, 12.49887, 14.25259, 9.06273, 7.3405, 8.27801, 6.40735, 6.66152, 6.29622, 9.14504, 12.6595, 11.72199, 13.59265, 13.33848, 13.70378, 10.85496, 7.50113, 5.74741, 10.93727, 11.37713, 8.97115, 14.49173, 12.70573, 12.95978, 7.37311, 7.72688, 6.39679, 7.34513, 10.50612, 8.45095, 5.25, 14.50304, 11.92558, 11.01979, 9.46997, 5.04263, 10.85046, 10.21114, 5.79567, 12.70121, 9.65014, 5.67724, 7.39587, 11.23615, 6.72279, 6.42862, 14.83998, 10.95539, 9.05652, 12.34318, 6.38294, 12.57702, 13.24949, 9.9774, 6.45327, 10.62552, 5.0919, 9.15423, 14.35426, 8.1084, 10.77527, 12.54971, 6.0182, 9.22667, 8.11436, 12.25403, 11.80939, 6.6845, 10.65438, 10.61717, 7.32619, 11.13871, 11.76308, 7.75604, 12.53106, 9.36087, 8.20447, 13.16172, 10.61731, 6.67611, 11.48858, 9.39335, 9.59982, 13.84824, 10.67001, 8.25316, 12.86285, 7.99735, 9.16694, 12.55622, 12.83331, 7.48304, 9.98822, 12.70123, 7.1557, 10.64987, 8.25565, 6.23488, 9.19514, 10.66753, 10.27557, 13.39011, 12.03045, 8.07609, 11.41862, 7.53241, 7.23672, 8.87737, 11.72162, 8.86088, 10.01681, 13.24207, 7.10682, 9.28429, 8.26057, 9.59276, 11.28963, 13.66505, 9.75368, 13.33836, 7.98881, 10.42437, 13.88175, 9.33963, 6.49219, 8.42084, 9.3215, 8.9497, 10.74996, 6.54173, 11.75523, 12.87852, 12.01331, 7.93651, 7.58769, 11.88298, 10.90416, 10.72821, 13.23839, 11.92284, 13.36111, 9.34259, 10.69911, 12.28031, 7.50465, 9.63807, 8.85373, 13.17927, 7.96739, 8.4976, 7.31542, 7.39261, 7.09448, 9.32534, 10.36193, 11.14627, 6.82073, 12.03261, 11.5024, 12.68458, 9.09584, 9.27179, 6.76161, 12.60739, 12.90552, 10.67466, 9.30089, 7.71969, 12.49535, 8.07716, 6.63889, 10.65741, 11.0503, 9.25004, 13.45827, 12.06349, 12.41231, 8.11702, 8.24477, 7.12148, 7.98669, 10.40724, 8.71037, 6.33495, 13.50781, 11.57916, 10.6785, 11.13912, 9.98319, 6.75793, 9.57563, 6.11825, 10.66037, 12.89318, 10.71571, 11.73943, 10.24632, 6.66164, 12.01119, 11.92391, 8.58138, 12.46759, 12.76328, 11.12263, 8.27838, 9.72443, 6.60989, 7.96955, 10.83306, 7.44378, 7.16669, 13.76512, 10.80486, 9.33247, 12.8443, 9.35013, 11.74435, 11.74684, 7.13715, 12.00265, 12.51696, 10.01178, 7.29877, 10.40018, 6.15176, 9.32999, 12.67381, 8.86129, 8.23692, 13.32389, 8.51142, 10.60665, 11.79553, 6.83828, 9.38269, 12.24396, 7.46894, 10.63913, 11.88564, 7.74597, 8.19061, 13.3155, 9.34562, 9.38283]]},
 "stress": {"__ndarray__": [[6], "float64", [9.899657624563435e-05, 0.00011136100582400909, 8.47784184568723e-05, 2.396739504339171e-06, -6.9218336206045324e-06, 9.84910140064378e-06]]},
 "unique_id": "5acad92a919325eb84d4240fde8edee5",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}