{"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": 20.636156927848837,
 "energy": -617.18760032,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.001248, 0.000145, 0.002201, 0.000538, -0.002627, -0.000371, 0.001668, -0.003055, 0.000279, 0.003705, -0.003074, -0.001501, 0.001025, 0.001042, 0.000387, 0.003968, -0.002394, -0.001521, 0.004004, -0.001123, 0.003317, 0.001924, -0.005316, -0.000776, 0.004522, -0.000509, -0.002659, 0.002824, -0.004791, -0.003857, 0.004922, 0.000175, -0.00217, 0.005479, -0.002825, 0.001547, -0.000219, -0.001842, 0.004367, 0.002009, -0.000545, -0.001789, 0.001888, 0.000249, 0.001067, 0.002085, 0.000334, -0.003485, 0.00304, 0.000516, 0.000258, 0.000884, -0.002334, -0.000495, 0.002916, -0.001959, -0.001767, 0.002716, -0.001016, -0.000629, 0.004577, -0.001081, -0.001987, 0.001711, -0.002839, -0.001325, 0.001174, -0.003321, -0.000866, 0.003349, -0.00198, 6.8e-05, 0.003115, -0.007472, -0.000686, 0.00471, -0.00103, -0.002947, 0.003773, 0.003406, -0.000808, 0.002495, -7.6e-05, 0.003583, 0.00118, -0.00566, -0.00251, 0.003948, -0.000842, 0.001345, -0.00027, -0.006346, 0.002733, -0.000511, 7e-05, 0.001685, -0.002657, -0.000572, -0.001028, -0.001006, -0.00124, -0.003938, 0.002855, 0.002513, 0.003082, 0.002961, 0.001404, 5e-06, 0.000761, 0.000603, 0.002151, -0.008692, 0.003867, 0.004925, -0.004842, 0.009301, 7e-05, 0.000356, 0.001145, -0.002139, -0.003647, 0.002692, -0.00049, -0.002925, -0.000175, 0.003859, -0.001458, -0.001401, 0.002339, 0.003042, 0.000384, 0.003645, -0.003955, 0.001312, 0.001147, 0.000177, -0.001693, -0.001123, -0.007478, 0.001506, 0.0027, -0.001215, 0.000456, -0.001393, 0.000877, 0.003303, 0.004019, 0.00317, 0.003482, -0.001102, -0.004292, 0.002018, -0.004292, -0.006515, -0.005418, 0.000138, -0.001326, 0.003528, -0.003883, -0.002902, -0.000548, 0.000847, -0.004063, -0.003986, 0.002601, 0.000763, 0.003739, -0.006599, 0.002201, 9.2e-05, 0.003527, -0.006351, -0.001463, -0.001763, 0.001523, 0.002109, -0.000597, 0.006077, 0.003291, 0.002628, 0.001077, 0.001843, -0.000526, -0.002788, -0.001424, -0.000232, -0.00122, -0.002157, -0.001127, -0.00674, 0.002289, -0.003905, -0.001354, 0.00627, 0.003181, -0.003356, -4.3e-05, -0.002242, -0.004423, 0.001004, -0.000827, -0.00286, 0.003644, 0.005207, -0.00268, -0.000616, 0.000128, -0.007857, 0.00492, 0.003611, -0.004708, 0.005297, 0.001409, -0.00801, 0.002832, -0.001115, 0.003716, 0.003008, -0.003927, 7.7e-05, -0.001118, 0.00353, 0.001512, 0.003191, 0.001816, -0.001659, -0.003493, -0.001427, -0.003853, 0.000541, -0.001833, 0.001079, 0.000256, 0.002126, 0.004051, 0.001141, 0.0001, -0.000254, -0.003043, -0.001208, 0.000859, -0.000764, -0.00387, -0.00115, 0.000124, 0.000602, 0.000447, -0.00139, 0.001676, -0.001743, 0.005558, -0.001173]]},
 "free_energy": -617.25045422,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.58683754948694,
 "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", [7.2715, 13.23723, 12.6061, 5.19131, 10.9523, 10.83393, 6.07822, 11.5963, 12.6073, 6.74711, 13.65237, 9.10841, 7.61089, 14.27862, 10.83336, 5.52176, 11.96652, 9.10846, 9.66689, 14.74793, 11.00793, 7.81012, 13.40065, 7.29495, 9.19105, 13.28452, 13.4968, 6.62478, 9.75456, 13.49721, 6.08939, 11.03363, 7.29528, 5.37972, 8.85049, 11.00603, 8.40663, 9.79951, 14.65715, 6.0234, 8.90836, 7.30678, 9.69866, 11.57634, 14.65719, 9.81071, 14.12158, 7.30826, 10.7456, 14.79847, 9.17658, 5.66709, 7.80962, 9.1742, 10.45217, 8.26964, 5.35754, 14.46945, 12.05462, 10.72855, 11.78382, 10.10622, 5.35718, 9.4251, 5.11314, 10.72969, 14.10097, 10.92264, 12.65861, 10.38915, 5.81455, 12.65996, 7.8537, 12.52611, 12.00756, 6.25858, 10.77088, 10.65844, 6.93358, 11.26101, 12.0082, 7.44651, 12.83637, 9.32772, 8.11227, 13.31917, 10.65755, 6.51357, 11.55286, 9.32816, 9.64586, 13.7008, 10.65449, 8.32778, 12.74416, 8.01822, 9.24343, 12.46367, 12.75816, 7.42149, 9.95782, 12.75834, 6.87361, 10.74391, 8.01837, 6.36927, 9.1943, 10.65332, 10.25578, 12.89435, 11.75077, 8.13552, 11.35498, 7.5097, 7.32484, 8.86266, 11.75009, 8.74146, 9.94236, 13.61966, 6.8495, 9.16859, 7.98433, 9.66598, 11.21341, 13.61967, 9.81829, 13.2551, 7.98513, 10.48706, 13.73971, 9.32267, 6.59407, 8.38258, 9.321, 9.06726, 10.67772, 6.77194, 11.56269, 12.48993, 11.76214, 8.1141, 7.74545, 11.76128, 11.04851, 10.67189, 13.2836, 11.79215, 12.95897, 9.39337, 10.80477, 12.24304, 7.41851, 9.68407, 8.79459, 13.28409, 8.11633, 8.54206, 7.41738, 7.73976, 7.38256, 9.39262, 10.4363, 11.14377, 6.69466, 11.98574, 11.36582, 12.57067, 9.04809, 9.23187, 6.69353, 12.37014, 12.54747, 10.5618, 9.31385, 7.68935, 12.57045, 8.30919, 6.95952, 10.56115, 11.05017, 9.23621, 13.27546, 12.02473, 12.2338, 8.17586, 8.5009, 7.38501, 8.17529, 10.44056, 8.68811, 6.37881, 13.50492, 11.52767, 10.62491, 11.38314, 9.98704, 6.37871, 9.62885, 6.19297, 10.6257, 13.24488, 10.72597, 11.98986, 10.31125, 6.68883, 11.9906, 12.0185, 8.53284, 12.53808, 12.8513, 11.09678, 8.17525, 9.83721, 6.9493, 8.176, 10.8221, 7.63944, 7.38994, 13.49558, 10.67117, 9.38711, 13.03367, 9.2463, 11.81273, 11.6536, 7.34706, 11.81341, 12.49832, 9.94668, 7.38904, 10.44031, 6.46743, 9.38801, 12.83833, 8.81696, 8.1392, 13.23768, 8.56208, 10.61086, 11.76066, 6.92509, 9.40014, 12.36714, 7.36481, 10.6114, 12.00155, 7.66471, 8.13994, 13.46816, 9.27385, 9.39884]]},
 "stress": {"__ndarray__": [[6], "float64", [9.97954894137474e-05, 0.00010574988911984004, 9.27862746653805e-05, 3.1769281450745782e-06, -6.853177020219818e-06, -2.8111757102978196e-05]]},
 "unique_id": "4bddc07d886bfd3645ecce6e34873f80",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}