{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [11.954564001, -1.161283062, -4.229977571, -1.159769437, 10.639147763, -0.788573603, -4.229393178, -0.789917928, 13.042519031]]},
 "ctime": 20.602621692033345,
 "energy": -554.81321068,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.348367, 2.886875, 1.754986, -3.745974, 0.76952, -1.480897, -1.474945, 0.669767, 0.437055, -3.57872, 2.924812, -1.777771, -0.623222, 4.715073, 1.531726, -3.003372, 3.355481, -3.279694, -1.900066, -0.17313, 0.081617, 0.723349, 0.606825, 3.000968, 0.120568, 3.893513, -1.705883, 1.774878, 4.366332, 1.390514, 1.312193, 2.281311, -0.562381, 1.247655, -0.06299, 2.398232, -1.247655, 0.06299, -2.398232, -1.312193, -2.281311, 0.562381, -0.723349, -0.606825, -3.000968, -1.774878, -4.366332, -1.390514, -0.120568, -3.893513, 1.705883, 3.003372, -3.355481, 3.279694, 1.900066, 0.17313, -0.081617, 1.474945, -0.669767, -0.437055, 0.623222, -4.715073, -1.531726, 3.57872, -2.924812, 1.777771, -0.348367, -2.886875, -1.754986, 3.745974, -0.76952, 1.480897, 2.423548, 6.012583, 0.172807, -1.813447, -0.359032, -5.931639, -3.75002, -1.343796, 5.110547, -1.090462, 4.407232, -6.980078, 0.437125, 4.052873, 7.297362, -4.81625, -1.908027, 4.055477, 2.23577, 3.356774, -2.53217, -2.47335, 5.981839, 2.307162, 2.231862, 2.99304, 0.801504, -8.634161, 3.610052, 1.633516, -0.028637, 0.281308, -4.167071, -5.431349, 2.192606, -7.773903, 4.006423, -0.848702, 2.178163, -1.610885, -4.436527, -3.575281, -0.473254, -5.987917, 2.921616, 6.082594, -0.60634, 8.085476, -2.899768, -8.173931, -2.904329, 2.045314, 1.669895, 3.074397, 1.498777, 2.002629, -5.515531, 1.346141, 0.205737, 5.989086, -0.669848, -3.277126, -8.109697, -2.327583, 2.943314, -2.965642, 2.406708, 1.134361, 1.004138, -4.467078, 1.499983, 0.392624, 4.906881, 4.673954, -0.269275, 0.910525, 3.705587, 6.837499, 0.130983, 10.080905, 1.119402, 3.236023, 5.230571, 8.699952, -3.421087, -1.889986, -1.148656, -2.143479, -0.082244, -5.128896, -3.236023, -5.230571, -8.699952, 3.421087, 1.889986, 1.148656, -4.906881, -4.673954, 0.269275, 2.143479, 0.082244, 5.128896, -0.130983, -10.080905, -1.119402, -0.910525, -3.705587, -6.837499, 2.327583, -2.943314, 2.965642, 4.467078, -1.499983, -0.392624, -2.406708, -1.134361, -1.004138, -2.045314, -1.669895, -3.074397, 0.669848, 3.277126, 8.109697, -6.082594, 0.60634, -8.085476, -1.346141, -0.205737, -5.989086, 2.899768, 8.173931, 2.904329, -1.498777, -2.002629, 5.515531, 1.610885, 4.436527, 3.575281, 0.473254, 5.987917, -2.921616, -4.006423, 0.848702, -2.178163, -2.231862, -2.99304, -0.801504, 5.431349, -2.192606, 7.773903, 0.028637, -0.281308, 4.167071, 2.47335, -5.981839, -2.307162, 8.634161, -3.610052, -1.633516, -2.23577, -3.356774, 2.53217, 3.75002, 1.343796, -5.110547, 4.81625, 1.908027, -4.055477, -0.437125, -4.052873, -7.297362, 1.090462, -4.407232, 6.980078, -2.423548, -6.012583, -0.172807, 1.813447, 0.359032, 5.931639]]},
 "free_energy": -554.94820518,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 25.572697057215485,
 "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", [0.89578, 7.5743, 6.65883, -0.89515, 6.03011, 4.73385, -0.54098, 6.30735, 6.65727, 0.58513, 7.9328, 3.38728, 1.59166, 8.56375, 4.80146, 1.71972, 7.88733, 1.67725, -0.30792, 4.41325, 7.43727, 1.22638, 4.44252, 8.49069, 3.65044, 8.3685, 1.56494, 4.27748, 8.58616, 3.31783, 5.17872, 7.34793, 0.73055, 2.14823, 2.59993, 8.48895, 4.41717, 6.08801, -0.46498, 1.38668, 1.34002, 7.29342, 5.33902, 4.24542, -0.46672, 2.28792, 0.10178, 4.70614, 2.91496, 0.31944, 6.45903, 4.84568, 0.80061, 6.34671, 6.87332, 4.27469, 0.58669, 7.10638, 2.3806, 1.3667, 4.97374, 0.1242, 3.22251, 5.98027, 0.75515, 4.63669, 5.66962, 1.11365, 1.36513, 7.46055, 2.65783, 3.29011, 1.24629, 6.86834, 5.99309, 0.03699, 5.63168, 4.8332, 0.29297, 5.93584, 6.12581, 1.34744, 7.29385, 3.529, 1.76187, 7.58297, 4.7105, 0.85246, 6.11751, 3.7064, 3.09353, 7.37445, 4.55703, 2.20455, 7.25404, 2.25371, 2.38249, 6.21331, 6.33589, 0.539, 4.59473, 6.80968, 1.11962, 5.54284, 2.62604, 0.20513, 4.26211, 4.84023, 3.4138, 6.74801, 5.6111, 2.11143, 6.05028, 1.84754, 0.69216, 3.74826, 5.82699, 1.56061, 4.27437, 7.52142, 0.90517, 4.33487, 2.5943, 2.50351, 5.12385, 6.99515, 3.5279, 7.52118, 2.0889, 3.96029, 7.63929, 3.35401, 0.50139, 3.68233, 3.75348, 2.98388, 5.43042, 1.05473, 4.6162, 6.19566, 5.53166, 1.33066, 2.60077, 5.79588, 3.66551, 4.51985, 6.87577, 5.01862, 6.73614, 3.26915, 4.58272, 6.68423, 1.27662, 2.30269, 2.96056, 7.51315, 1.87924, 3.67216, 1.88765, 1.17597, 2.51007, 3.66864, 4.26271, 5.72739, 0.51082, 4.68616, 5.01579, 6.13632, 2.89989, 4.1681, 1.14819, 5.38943, 6.17788, 4.35532, 1.98268, 2.00371, 6.74735, 1.54678, 1.95181, 4.75482, 3.58152, 3.25753, 6.96924, 5.23474, 6.08717, 2.22808, 1.94921, 2.49228, 2.49231, 4.06189, 3.56409, 1.02882, 6.06401, 5.00561, 4.27048, 5.00479, 4.41358, 0.50255, 2.60511, 1.04866, 4.66996, 5.66023, 4.35308, 5.42966, 3.0375, 1.16677, 5.93507, 4.45397, 2.63767, 6.17643, 5.87324, 4.93969, 2.19698, 3.15161, 1.93994, 2.41287, 4.18291, 2.47464, 1.68807, 6.36027, 4.42584, 3.18374, 5.44578, 3.1451, 5.39792, 4.36086, 1.4339, 5.77026, 6.0264, 4.09321, 1.21429, 3.47188, 1.3135, 3.46694, 6.27243, 2.7521, 1.89816, 5.71294, 2.57044, 4.31757, 4.80353, 1.10497, 3.31347, 5.21796, 1.3941, 4.49497, 5.31912, 1.81961, 2.03088, 6.52841, 3.05626, 3.19076]]},
 "stress": {"__ndarray__": [[6], "float64", [-0.18641675713060063, -0.27880577222313696, -0.2251389486758887, -0.021466553408341936, -0.07184667314800952, 0.0030188619264615853]]},
 "unique_id": "ea96102960e0c90f95e6e9bd2b50382f",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}