{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [9.134401211, -0.79750867, 0.158631265, -0.793801321, 9.911475353, -3.146591701, 0.161092603, -3.148283477, 8.428181287]]},
 "ctime": 20.60262530915516,
 "energy": -383.89800761,
 "forces": {"__ndarray__": [[84, 3], "float64", [-6.51791, 7.059732, 5.717773, -5.797103, 2.208846, 0.892782, -8.037825, 2.5228, 11.448634, -6.108702, 3.701722, -0.297896, -2.91316, 14.230765, 4.180953, -2.295672, 0.860706, -1.873171, -5.69576, -1.614268, 1.548138, -6.356194, -0.523002, 6.390372, -0.288839, 5.250466, -0.388168, -2.694951, -3.02042, 0.975091, 3.366161, 12.626933, 1.916875, 0.975896, 1.146656, -3.434232, -4.276675, 1.715546, 15.884761, 9.887147, 12.548849, 3.81079, -0.545523, -1.642882, 2.605878, 2.078575, -0.357727, 9.897309, 4.203747, 2.236644, -2.324912, 12.828134, 6.373979, 6.467124, 7.701088, -0.729212, 7.438933, 8.113053, 2.173572, -3.24289, 0.087029, -2.838935, 1.510283, 3.906883, -1.150599, 0.447259, 4.699356, -5.61971, -0.711444, 9.804956, -2.894282, -4.315409, 2.959677, 1.733182, 3.275126, -16.452992, -3.856187, -13.170887, 14.947996, 2.693495, 14.549836, -18.931943, 3.227686, -11.500785, 9.986206, 0.841444, 22.417815, -19.71332, 23.129803, 38.562356, -6.234106, -0.222902, 15.845003, -6.353473, 19.233586, -5.718957, 0.492292, -1.254362, 8.879008, -13.025557, 11.444999, -7.153336, 8.964121, -23.679615, -44.951049, -11.312086, 2.581984, 11.74981, 1.039362, 3.377234, 5.565018, -18.463821, -7.946027, -1.573348, -9.402795, -9.737472, 1.152849, 13.180078, -8.719728, 12.699956, -8.419536, -5.155061, -4.79583, 1.382903, 15.253357, 1.231269, -7.525439, 13.101725, -7.391663, 11.169584, 3.437704, -0.795217, 1.221803, -11.050448, -13.717518, 9.474768, -13.060216, -16.104181, 2.914185, -0.506616, 8.026753, -11.089722, -3.277077, 14.738492, 5.576107, 2.895344, 6.038143, -1.240582, 3.599865, 23.025445, 9.866971, 14.24637, -11.046203, 1.257834, 22.865804, 0.574788, 3.706624, -10.651458, -5.555655, -9.1616, -2.180354, -4.181836, 0.732896, -13.806539, -11.856007, -8.155928, 12.180397, 6.866536, -3.468183, -4.861833, -5.969946, -4.433765, -2.062576, -0.931455, -11.092405, -22.228897, 9.630058, 1.124819, -8.007322, -11.140115, -2.886248, 11.151004, 2.841179, 12.948302, -6.301694, -21.326386, -0.559076, -0.418619, -10.923101, 1.423644, -10.563869, -3.533965, -10.221488, 7.47064, 28.644886, -0.773797, -2.650941, -11.248164, -19.382941, -10.194789, -20.297899, 8.000141, 11.695768, -4.385648, 14.695315, -5.034032, 21.419913, 10.11514, 20.453193, 7.973735, 18.002873, 34.295262, 7.067683, -0.180952, -5.416353, -6.294955, -6.499279, -0.759402, -11.622313, 13.389179, -7.485239, -24.238497, -6.724823, 5.328026, 21.888706, -0.634345, -24.989652, -0.702773, -7.00532, -35.568975, -11.223544, -5.415031, -8.896481, -17.074895, -4.976558, 1.789778, -14.82298, 18.181203, -8.898067, -19.226595, 9.312151, -1.651653, -14.221105, 9.782651, -10.273114, 0.372893, 2.864534, -11.236118, -0.899205, 14.900043, 0.309857, 10.013921]]},
 "free_energy": -383.91645796,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.585104157739025,
 "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", [1.65411, 5.36125, 4.05985, 0.10698, 3.83517, 2.99866, 1.11193, 3.76178, 4.65907, 1.10648, 5.82544, 1.61364, 2.31374, 6.399, 2.73052, 2.13321, 6.22003, 0.02972, 0.05921, 1.92938, 3.57527, 1.01834, 1.3735, 5.10247, 3.73564, 6.84213, 0.30898, 2.06137, -0.35584, 5.08993, 5.86547, 6.59846, 1.66141, 4.92226, 6.2817, -0.7023, 3.73322, 1.42285, 6.37822, 6.76223, 5.75643, 2.86316, 3.82025, -0.38283, 5.92401, 5.43378, 1.57702, 6.35711, 6.55818, 5.9481, 0.1103, 7.83143, 4.44168, 3.11973, 6.80739, 1.09072, 5.63964, 8.12768, 3.9942, 1.5724, 6.25951, -0.48911, 5.13425, 8.16914, 1.08351, 3.57579, 7.18373, -0.32796, 3.67684, 8.19661, 2.12937, 1.85476, 2.28132, 4.7812, 3.74313, 0.99941, 3.4567, 3.04285, 1.63465, 3.65677, 3.96207, 1.91031, 5.29972, 1.72539, 2.51347, 5.55675, 2.61987, 1.53603, 4.09142, 2.02455, 3.76395, 5.62042, 2.54046, 2.58373, 5.50479, 0.64754, 3.44756, 4.55185, 4.26293, 2.25888, 2.54182, 4.50136, 1.83244, 3.6391, 1.21232, 0.96671, 2.06853, 3.32755, 4.27808, 5.15931, 3.58371, 2.55927, 4.37206, 0.43948, 1.6543, 1.52108, 4.42982, 3.21381, 2.47988, 5.00061, 1.72937, 2.42792, 1.39769, 3.85945, 3.46566, 4.9343, 3.81162, 5.8922, 0.61192, 4.3583, 5.75633, 1.6417, 1.45138, 1.7085, 2.37157, 3.38271, 3.93804, -0.11044, 5.43183, 4.79207, 3.6696, 2.49239, 0.42157, 4.60554, 5.00773, 3.07163, 5.09089, 5.62149, 5.74568, 1.63185, 4.78245, 5.4723, -0.05645, 3.92446, 1.43173, 5.54714, 2.67413, 1.98066, 0.82515, 2.36165, 0.79905, 2.56169, 4.50961, 4.39263, -0.33766, 5.82188, 3.73957, 4.4071, 3.41847, 2.67544, 0.12289, 6.22488, 5.10304, 2.73924, 3.70184, 0.38473, 5.20614, 2.89524, 0.33594, 3.51905, 5.1775, 1.8089, 5.5059, 5.95219, 5.35414, 0.62207, 3.0595, 0.94623, 1.58252, 4.5903, 2.31793, 0.16932, 7.08391, 4.07676, 2.89136, 5.1891, 3.38652, -0.02893, 4.1252, 0.08685, 3.55515, 6.71015, 3.17926, 3.89362, 4.62457, 0.20711, 4.45762, 6.18466, 1.27897, 4.99438, 6.47081, 4.16298, 1.00996, 4.20356, 0.58645, 1.61317, 4.96464, 1.2987, 0.92243, 7.30562, 3.67879, 1.912, 6.80702, 2.05866, 4.0875, 5.86581, 0.28492, 4.56466, 6.10295, 3.26133, 0.72587, 4.79429, 0.10372, 2.63697, 6.53603, 2.19636, 1.39207, 7.30636, 1.47522, 3.30853, 5.88584, 0.39269, 2.57363, 6.59364, 0.4123, 3.5065, 5.97187, 1.21202, 1.56678, 7.36401, 2.33604, 2.16275]]},
 "stress": {"__ndarray__": [[6], "float64", [-1.2547185833957715, -1.016372470337822, -1.216534578457881, -0.22263883105589755, 0.08198845763609336, -0.0664200117630377]]},
 "unique_id": "dc2eb3bd27026896b01dc39740b44a64",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}