{"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": 20.636162654815802,
 "energy": -619.81223576,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.005183, -0.008341, -0.003043, -0.00294, 0.000259, 0.00031, 0.003854, 0.000674, -0.012461, -0.004625, 0.001094, -0.004316, -0.007184, -0.000681, -0.006108, -0.012454, -0.005817, -0.002568, 0.002415, 0.00646, 0.002636, -0.002415, 0.00646, -0.002636, 0.001822, 0.006561, -0.004811, -0.001822, 0.006561, 0.004811, 0.004625, 0.001094, 0.004316, 0.001831, -0.005427, -0.007396, -0.00589, -0.000817, 0.003811, -0.005183, -0.008341, 0.003043, 0.006101, 0.011332, -0.00032, 0.007184, -0.000681, 0.006108, -0.006626, 0.0009, 0.000685, -0.001831, -0.005427, 0.007396, -0.003854, 0.000674, 0.012461, 0.006626, 0.0009, -0.000685, 0.00589, -0.000817, -0.003811, 0.00294, 0.000259, -0.00031, -0.006101, 0.011332, 0.00032, 0.012454, -0.005817, 0.002568, -0.018756, 0.010695, 0.00097, -0.000929, 0.02241, -0.008522, -0.009931, 0.004469, 0.012106, 0.024763, 0.005491, -0.000456, 0.002656, 0.003545, -0.012091, -0.013464, -0.008433, -0.009778, -0.027327, -0.01121, 0.023798, 0.003867, 0.026462, 0.0062, -0.008831, -0.012112, 0.017866, -0.003799, -0.00085, 0.007974, -0.011275, -0.004513, -0.013331, 0.014663, 0.003861, -0.004275, -0.006471, -0.013513, -0.001776, -0.007961, -0.013723, -0.001204, -0.009187, 0.03063, -0.003276, -0.000961, -0.014598, -0.012015, 0.012928, -0.006109, -0.006813, 0.005301, 0.008575, 0.005783, 0.006471, -0.013513, 0.001776, 0.027327, -0.01121, -0.023798, -0.015723, -0.012083, 0.008854, -0.009248, 0.004714, -0.010839, -0.003867, 0.026462, -0.0062, 0.023917, -0.028418, -0.006584, 0.009248, 0.004714, 0.010839, -0.002656, 0.003545, 0.012091, 0.008831, -0.012112, -0.017866, -0.017928, -0.018369, 0.005348, -0.006527, 0.000968, -0.015258, -0.006382, 0.017341, 0.025714, -0.005301, 0.008575, -0.005783, 0.007961, -0.013723, 0.001204, -0.000545, 0.021659, -0.001146, -0.024763, 0.005491, 0.000456, -0.001151, 0.001804, -0.00897, -0.009092, -0.000267, -0.009769, 0.000545, 0.021659, 0.001146, 0.018756, 0.010695, -0.00097, 0.008127, -0.005063, -0.028626, 0.017928, -0.018369, -0.005348, 0.013464, -0.008433, 0.009778, 0.000961, -0.014598, 0.012015, -0.007494, -0.011522, -0.003552, 0.011275, -0.004513, 0.013331, 0.016947, -0.008039, -0.010108, 0.006527, 0.000968, 0.015258, 0.009931, 0.004469, -0.012106, -0.016947, -0.008039, 0.010108, 0.001151, 0.001804, 0.00897, 0.000929, 0.02241, 0.008522, -0.012928, -0.006109, 0.006813, -0.008127, -0.005063, 0.028626, 0.003799, -0.00085, -0.007974, 0.007494, -0.011522, 0.003552, 0.009187, 0.03063, 0.003276, 0.015723, -0.012083, -0.008854, 0.009092, -0.000267, 0.009769, 0.006382, 0.017341, -0.025714, -0.023917, -0.028418, 0.006584, -0.014663, 0.003861, 0.004275]]},
 "free_energy": -619.81223576,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.104675280412593,
 "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", [7.19062, 13.39534, 12.38172, 5.09874, 11.05029, 10.73166, 6.08633, 11.48672, 12.74859, 9.00189, 13.23361, 13.76909, 5.89704, 11.02453, 7.42474, 5.35658, 8.75808, 10.8047, 10.51518, 14.23931, 12.34602, 9.48482, 14.23931, 7.65398, 8.62905, 10.95904, 5.33907, 11.37095, 10.95904, 14.66093, 10.99811, 13.23361, 6.23091, 7.21914, 8.01444, 6.41557, 8.80473, 7.00331, 13.64925, 12.80938, 13.39534, 7.61828, 9.23842, 5.11867, 10.81728, 14.10296, 11.02453, 12.57526, 10.44715, 5.71678, 12.6637, 12.78086, 8.01444, 13.58443, 13.91367, 11.48672, 7.25141, 9.55285, 5.71678, 7.3363, 11.19527, 7.00331, 6.35075, 14.90126, 11.05029, 9.26834, 10.76158, 5.11867, 9.18272, 14.64342, 8.75808, 9.1953, 7.81564, 12.5628, 12.01492, 6.17449, 10.81737, 10.65464, 6.89151, 11.28158, 12.02194, 7.71233, 12.40377, 9.44448, 8.31602, 12.90119, 10.64018, 6.76132, 11.42764, 9.41353, 9.61631, 13.30784, 10.60641, 8.47362, 12.42886, 8.18401, 9.16076, 12.56926, 12.90233, 7.62733, 10.04608, 12.45225, 6.7997, 10.7751, 8.02143, 6.33749, 9.23698, 10.62376, 10.26314, 13.23023, 11.96802, 8.0399, 11.42785, 7.39382, 7.30306, 8.92941, 11.74205, 8.86421, 10.0819, 13.1653, 7.02853, 9.3036, 8.16358, 9.60804, 11.20799, 13.3549, 9.73686, 13.23023, 8.03198, 10.38369, 13.30784, 9.39359, 6.93205, 8.68623, 9.35714, 8.93748, 10.77612, 6.39008, 11.52638, 12.42886, 11.81599, 8.1406, 7.76473, 11.73071, 11.06252, 10.77612, 13.60992, 11.68398, 12.90119, 9.35982, 10.83924, 12.56926, 7.09767, 9.71883, 8.88325, 13.19404, 7.86924, 8.44678, 7.20533, 7.82241, 7.51305, 9.35848, 10.39196, 11.20799, 6.6451, 11.9601, 11.42785, 12.60618, 8.99741, 9.26606, 6.66299, 12.28767, 12.40377, 10.55552, 9.21276, 7.53392, 12.76782, 8.378, 7.05504, 10.59232, 11.00259, 9.26606, 13.33701, 12.18436, 12.5628, 7.98508, 8.425, 7.36391, 8.14542, 10.28117, 8.88325, 6.80596, 13.23868, 11.42764, 10.58647, 11.13579, 10.0819, 6.8347, 9.57925, 6.15801, 10.66829, 13.2003, 10.7751, 11.97857, 10.28617, 6.61426, 12.04207, 12.13076, 8.44678, 12.79467, 13.10849, 11.28158, 7.97806, 9.71383, 6.61426, 7.95793, 10.78724, 7.53392, 7.23218, 13.82551, 10.81737, 9.34536, 12.97147, 9.3036, 11.83642, 11.575, 7.36391, 11.85458, 12.37267, 10.04608, 7.54775, 10.42075, 6.15801, 9.33171, 12.69694, 8.92941, 8.25795, 13.06795, 8.68623, 10.64286, 11.622, 7.05504, 9.40768, 12.17759, 7.51305, 10.64152, 11.8594, 7.76473, 8.26929, 13.66251, 9.23698, 9.37624]]},
 "stress": {"__ndarray__": [[6], "float64", [7.940447909948681e-05, 7.652090188332874e-05, 5.812093298022489e-05, -0.0, -2.839262501364294e-05, -0.0]]},
 "unique_id": "80923c7a4c2584b824e2523492ba0ee9",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}