{"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": 20.636176258077327,
 "energy": -597.11209058,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.000853, -0.002049, -0.000519, -0.001058, -0.003475, 0.00341, 0.002118, -0.003105, -0.000247, -0.005503, 0.003609, -0.001937, -0.000372, -5.3e-05, -0.003753, -0.000108, 0.000777, -0.002109, 0.005726, 0.003053, -0.002563, -0.001033, -0.000951, -0.001648, -0.000411, -0.001649, -0.000711, -0.001501, -3.3e-05, -0.001149, 0.001855, 0.000489, -0.001166, -0.002298, 0.004983, -0.002202, -0.001015, -0.001341, -0.001026, -0.003692, -0.003401, -0.001611, 0.006749, -0.000951, -0.000745, -0.001794, 0.000554, -0.000247, -0.000853, -0.004515, 0.004178, -0.001208, 0.00036, -0.001206, 9.4e-05, -0.002539, 0.001875, 0.000544, 0.000991, 0.002498, 0.00366, 0.003936, -0.002619, -0.000421, -0.004924, -0.004546, 7.3e-05, 0.007068, 0.00384, 0.001434, 0.001726, 0.001587, 0.00205, 0.000894, -0.002436, -0.000758, 0.00048, -7.4e-05, 5.2e-05, -0.000527, -0.00597, 0.002555, -0.001711, -0.000197, -0.001347, -0.00017, -0.003092, -0.006103, -0.003401, -0.001802, -0.001655, -0.007005, -0.003545, 0.000494, -0.000988, -0.00137, 0.000682, 0.000918, 0.00123, -0.000551, 0.003894, -3.8e-05, 0.001497, 0.002481, -0.001138, -0.000724, -0.005479, -0.005279, 0.000797, 0.003864, 0.001717, -0.001026, -0.000227, 0.002983, 0.000667, 0.001763, 0.003795, -0.003194, -0.000659, 0.002173, -0.001562, -0.003454, -0.004687, -0.001215, -0.004711, -0.002728, -0.005175, -0.004046, -0.004044, 0.002379, -0.002146, 0.002768, 0.001286, 0.001475, -0.006182, 0.001014, -9.7e-05, 0.006837, -0.003791, -0.000501, 0.005454, 0.002968, 0.002936, 0.001115, 0.00271, 0.005955, 0.004528, -0.001096, -0.001506, -0.006299, 0.004246, 0.002254, 0.000783, -0.00338, 0.000807, 8.5e-05, 0.001958, -0.001058, -0.000614, 0.001131, -0.002073, 0.000623, -0.000781, 0.00217, -0.003721, 0.002445, 0.003342, 0.000521, 0.000954, 0.002444, 0.002441, 4.3e-05, 0.004353, 0.001395, 0.000996, 0.008503, 0.001861, 0.002463, -0.002932, 0.003159, -0.000155, -0.003262, -0.00018, -0.002682, -0.000413, 0.004384, -0.003066, -0.003395, 0.000482, -0.004376, 0.000321, 0.001073, 0.003431, 0.000148, 0.004705, 0.003048, 0.003101, 0.002395, -0.002534, 0.001045, 0.004471, -0.006782, -0.001456, -0.001325, 0.000244, 0.003688, -0.001172, 0.002236, 0.000115, 0.003209, 0.001733, -0.002766, -0.002069, -0.002737, -0.002571, 0.003475, -0.002158, -0.002438, -0.006486, 0.000644, 0.001062, 0.001922, 0.001596, 0.003739, 0.006952, 0.000985, -0.005523, -0.00338, 0.004127, 0.002538, -0.000236, 0.003578, 0.001664, 0.004137]]},
 "free_energy": -597.11209058,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.57205753526855,
 "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", [7.25462, 13.16798, 12.52663, 5.22713, 11.02628, 10.85371, 9.50395, 14.80155, 10.80995, 6.0866, 8.37958, 12.57404, 8.28155, 10.00287, 14.58354, 5.9235, 9.0371, 7.42808, 9.66181, 14.24897, 7.46669, 8.58819, 10.97218, 5.39253, 6.78738, 6.37625, 9.15757, 13.22279, 13.59134, 10.81058, 11.3903, 8.99348, 14.58294, 12.7714, 13.23679, 7.46815, 11.7144, 9.95679, 5.3919, 14.08071, 10.94854, 12.52722, 12.21419, 6.38919, 12.57488, 10.46932, 5.17944, 9.15763, 14.46403, 8.02405, 10.85561, 12.73366, 6.8231, 7.42807, 7.86952, 12.453, 11.94415, 6.27981, 10.74843, 10.64437, 7.19292, 11.10401, 11.82272, 7.71858, 12.54225, 9.42804, 8.24236, 13.02541, 10.57526, 6.8105, 11.39032, 9.399, 9.60676, 13.71478, 10.61785, 8.441, 12.57685, 8.15178, 9.26317, 12.2634, 12.53049, 7.5463, 10.01519, 12.5296, 7.05107, 10.72689, 8.23281, 6.48176, 9.23143, 10.57608, 10.23319, 12.96806, 11.7898, 8.067, 11.46582, 7.45575, 6.93354, 8.7343, 11.95279, 8.66879, 9.98922, 13.545, 6.80453, 9.2538, 8.06244, 9.6278, 11.13902, 13.26068, 9.75588, 13.27524, 7.98801, 10.41151, 13.4426, 9.36383, 6.71786, 8.56677, 9.43464, 8.9446, 10.8083, 6.42779, 11.5541, 12.53805, 11.78954, 8.00736, 7.70149, 11.79593, 10.96761, 10.70339, 13.25995, 11.69047, 13.02534, 9.36418, 10.76087, 12.34103, 7.30647, 9.61112, 8.80624, 13.31759, 8.08324, 8.62863, 7.51025, 7.46335, 7.22386, 9.38171, 10.40509, 11.24592, 6.61787, 11.92378, 11.39759, 12.52968, 9.04193, 9.32523, 6.7777, 12.50072, 12.7727, 10.6184, 9.27076, 7.75671, 12.53868, 8.25554, 7.01803, 10.64285, 11.06889, 9.20982, 13.54448, 12.12238, 12.5041, 7.98871, 8.45267, 7.49018, 8.24991, 10.37984, 8.8901, 6.77705, 13.19913, 11.41288, 10.57518, 11.32952, 10.03296, 6.42718, 9.65945, 6.56098, 10.64351, 13.1635, 10.73125, 11.94395, 10.26118, 6.96824, 11.79719, 11.99215, 8.56995, 12.52907, 12.77616, 11.16604, 8.15104, 9.77762, 7.05952, 8.24982, 10.74609, 7.76231, 7.50921, 13.3399, 10.71381, 9.4281, 12.91793, 9.24234, 11.82183, 11.73669, 7.1732, 11.95325, 12.42614, 10.04751, 7.45498, 10.42079, 6.26256, 9.38213, 12.81366, 8.85293, 8.23244, 13.44921, 8.41744, 10.64477, 11.81377, 6.90968, 9.43464, 12.39444, 7.30903, 10.57645, 12.14751, 7.51609, 8.06202, 13.39845, 9.24816, 9.39879]]},
 "stress": {"__ndarray__": [[6], "float64", [4.842162779860232e-05, 8.834232016775163e-05, 0.0001175525828768853, -2.7961960883956997e-06, -1.814406702894263e-05, -7.290082659031645e-06]]},
 "unique_id": "fe22826e07c66200e6481afce97935b7",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}