{"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": 20.636165651927886,
 "energy": -619.49331089,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.004974, -0.003842, 0.001648, -0.002768, -0.003427, -0.003542, -0.000168, 0.000359, 0.002106, 0.002556, -0.00079, 0.003059, 0.000175, -0.005911, 0.000524, 0.000135, 0.000765, -0.000328, -0.002581, -0.000957, -0.002176, -0.001026, -0.001064, -0.00345, 0.002377, -0.003671, 0.001251, 0.000758, 0.003645, 9.1e-05, 0.001536, -0.000541, 0.002278, 0.001268, -0.003052, 0.000429, -0.001536, 0.000541, -0.002278, -0.001268, 0.003052, -0.000429, -0.000758, -0.003645, -9.1e-05, -0.000135, -0.000765, 0.000328, -0.002377, 0.003671, -0.001251, -0.002556, 0.00079, -0.003059, 0.001026, 0.001064, 0.00345, -0.000175, 0.005911, -0.000524, 0.002581, 0.000957, 0.002176, 0.000168, -0.000359, -0.002106, 0.004974, 0.003842, -0.001648, 0.002768, 0.003427, 0.003542, -0.003161, 0.007522, 0.00502, -0.006805, -0.001324, 0.000706, -0.002048, -0.000764, 0.01022, -0.009412, 0.001873, -0.002471, 0.004329, 0.007522, -0.002806, -0.008279, -0.002521, -0.004296, -0.009081, 0.00108, -0.002169, 0.002729, 0.007893, 0.002582, -0.004197, -0.000898, 0.00407, -0.002044, 0.001339, 0.000573, -0.00237, -0.000379, 0.003118, -0.001961, -0.004067, -0.002204, -0.000237, 0.002592, -0.004127, -0.001645, -0.007654, -0.001317, 0.001322, 0.001464, -0.001035, -0.007552, 0.00179, -0.002973, -0.003407, 0.003184, 0.00078, -0.003551, -0.006192, 0.004358, 0.001147, 0.001479, 0.003643, -0.007221, 0.002104, 0.004473, 0.003028, -0.004706, -0.006965, 0.004057, -0.005783, -0.00101, 0.002908, -0.005224, 7.5e-05, 0.007059, -0.007445, 0.002767, -0.002999, -0.003178, 0.00037, -0.000222, 0.002118, 0.006668, 0.005424, 0.002795, 0.003824, -0.006886, -0.006147, -0.002018, 0.004707, 0.002805, -0.003391, 0.001783, 0.00203, -0.005531, 0.006886, 0.006147, 0.002018, -0.004707, -0.002805, 0.003391, 0.002999, 0.003178, -0.00037, -0.001783, -0.00203, 0.005531, -0.005424, -0.002795, -0.003824, 0.000222, -0.002118, -0.006668, -0.004057, 0.005783, 0.00101, -0.007059, 0.007445, -0.002767, -0.002908, 0.005224, -7.5e-05, 0.003551, 0.006192, -0.004358, -0.003028, 0.004706, 0.006965, 0.007552, -0.00179, 0.002973, 0.007221, -0.002104, -0.004473, 0.003407, -0.003184, -0.00078, -0.001147, -0.001479, -0.003643, 0.001645, 0.007654, 0.001317, -0.001322, -0.001464, 0.001035, 0.000237, -0.002592, 0.004127, 0.004197, 0.000898, -0.00407, 0.001961, 0.004067, 0.002204, 0.00237, 0.000379, -0.003118, -0.002729, -0.007893, -0.002582, 0.002044, -0.001339, -0.000573, 0.009081, -0.00108, 0.002169, 0.002048, 0.000764, -0.01022, 0.008279, 0.002521, 0.004296, -0.004329, -0.007522, 0.002806, 0.009412, -0.001873, 0.002471, 0.003161, -0.007522, -0.00502, 0.006805, 0.001324, -0.000706]]},
 "free_energy": -619.49331089,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.201274079009774,
 "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", [7.26459, 13.266, 12.4904, 5.25708, 11.01339, 10.9105, 6.68374, 13.55248, 9.1451, 8.05608, 9.98771, 14.5587, 5.83992, 9.25401, 7.41401, 9.59822, 11.713, 14.68106, 9.65532, 14.19127, 7.29429, 10.3979, 14.89983, 9.37153, 5.53321, 7.87724, 9.25184, 12.5559, 14.09176, 9.13925, 9.61635, 8.27597, 14.57082, 7.43021, 7.92234, 6.38467, 10.38365, 11.72403, 5.42918, 12.56979, 12.07766, 13.61533, 7.4441, 5.90824, 10.86075, 10.40178, 8.287, 5.31894, 14.46679, 12.12276, 10.74816, 11.94392, 10.01229, 5.4413, 9.6021, 5.10017, 10.62847, 14.16008, 10.74599, 12.58599, 10.34468, 5.80873, 12.70571, 13.31626, 6.44752, 10.8549, 12.73541, 6.734, 7.5096, 14.74292, 8.98661, 9.0895, 7.88215, 12.50857, 11.96175, 6.3138, 10.76508, 10.67332, 7.21905, 11.17641, 11.8416, 7.45872, 12.77887, 9.33361, 8.2605, 13.02712, 10.56819, 6.8041, 11.3936, 9.41136, 9.57817, 13.32526, 10.53155, 8.40673, 12.61803, 8.14232, 9.2527, 12.32996, 12.61892, 7.67879, 10.07473, 12.47436, 7.13128, 10.67067, 8.318, 6.54584, 9.25353, 10.60525, 10.19014, 12.85827, 11.77738, 8.14552, 11.40915, 7.56269, 7.29653, 8.89863, 11.69013, 8.64001, 10.0185, 13.62442, 6.76049, 9.24858, 8.02025, 9.60326, 11.28487, 13.65911, 9.7396, 13.31933, 7.97269, 10.37543, 13.79801, 9.35142, 6.50014, 8.40977, 9.34706, 9.08228, 10.66059, 6.77765, 11.57109, 12.47491, 11.74829, 8.13757, 7.74003, 11.75766, 10.96646, 10.6847, 13.304, 11.86016, 13.26175, 9.36933, 10.7632, 12.30231, 7.46143, 9.5754, 8.74749, 13.56977, 7.88774, 8.4841, 7.22218, 7.68314, 7.43719, 9.37224, 10.4246, 11.25251, 6.43023, 12.11226, 11.5159, 12.77782, 9.03354, 9.3153, 6.696, 12.31686, 12.56281, 10.62776, 9.2368, 7.69769, 12.53857, 8.13984, 6.73825, 10.63067, 10.91772, 9.33941, 13.22235, 11.86243, 12.25997, 8.24234, 8.42891, 7.52509, 8.25171, 10.39674, 8.71513, 6.34089, 13.49986, 11.59023, 10.65294, 11.35999, 9.9815, 6.37558, 9.62457, 6.20199, 10.64858, 13.23951, 10.75142, 11.97975, 10.2604, 6.68067, 12.02731, 11.85448, 8.59085, 12.43731, 12.70347, 11.10137, 8.30987, 9.80986, 7.14173, 8.22262, 10.7473, 7.67004, 7.38108, 13.45416, 10.74647, 9.39475, 12.86872, 9.32933, 11.682, 11.59327, 7.38197, 11.85768, 12.32121, 9.92527, 7.52564, 10.42183, 6.67474, 9.46845, 12.78095, 8.82359, 8.1584, 13.1959, 8.6064, 10.58864, 11.7395, 6.97288, 9.43181, 12.54128, 7.22113, 10.66639, 12.11785, 7.49143, 8.03825, 13.6862, 9.23492, 9.32668]]},
 "stress": {"__ndarray__": [[6], "float64", [8.922237295450118e-05, 6.543598167576008e-05, 9.283620673838759e-05, -1.1865108848304072e-05, -1.1384512645611062e-05, 1.559753130558226e-05]]},
 "unique_id": "5b42d7dde171f52b60c6013cbf2c1caa",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}