{"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": 20.63616147900024,
 "energy": -619.01567284,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.004799, 0.000392, 0.005163, -5.2e-05, -0.00867, -0.000375, -0.006749, 0.003577, 0.004696, 0.007016, 0.002363, 0.009175, 0.004771, 0.004154, -0.003443, 0.00093, -0.007368, 0.00204, -0.009117, -0.001335, -0.007557, 0.008429, 0.004657, -0.001482, -0.007016, 0.002363, -0.009175, 0.005793, -0.00099, 0.00776, -0.004771, 0.004154, 0.003443, -0.00093, -0.007368, -0.00204, -0.003386, 0.00213, 0.006957, 0.003386, 0.00213, -0.006957, 0.004799, 0.000392, -0.005163, -0.000108, -0.007087, -0.000656, -0.004994, 0.003716, 0.003886, 0.006749, 0.003577, -0.004696, 0.004994, 0.003716, -0.003886, 5.2e-05, -0.00867, 0.000375, -0.008429, 0.004657, 0.001482, 0.000108, -0.007087, 0.000656, 0.009117, -0.001335, 0.007557, -0.005793, -0.00099, -0.00776, 0.00164, 0.010453, 0.002273, -0.003034, 0.000859, 0.006068, -0.001684, -0.000724, -0.003363, 0.013013, 0.004599, -0.00356, -0.002633, -0.004896, 0.002831, 0.014384, -0.002196, -0.00564, -0.00171, 0.003752, -0.002893, 0.001286, 0.005049, 0.000418, -0.004448, 0.003353, -0.000276, 0.004675, 0.002424, -0.005804, 0.00942, 0.012677, 0.004674, -0.001057, 0.002451, -0.001494, -0.004202, 0.003541, 0.003296, -0.002139, 0.002102, 0.010476, 0.003118, 0.000507, 0.003869, -0.002136, -0.009665, 0.000379, 0.009709, -0.015396, 0.000508, -8.4e-05, -0.004899, -0.006784, 0.004202, 0.003541, -0.003296, 0.00171, 0.003752, 0.002893, -0.00409, 0.001182, 0.008853, -0.004512, -0.011783, 0.005253, -0.001286, 0.005049, -0.000418, -0.003677, -0.001004, 0.001415, 0.004512, -0.011783, -0.005253, 0.002633, -0.004896, -0.002831, 0.004448, 0.003353, 0.000276, -0.001727, -0.003503, 0.005397, -0.006483, 0.004351, 0.007441, -0.012937, 0.009198, -0.004536, 8.4e-05, -0.004899, 0.006784, 0.002139, 0.002102, -0.010476, 0.016167, 0.0087, 0.006551, -0.013013, 0.004599, 0.00356, 0.000934, -0.009939, -0.007297, 0.005762, -0.004855, -0.00017, -0.016167, 0.0087, -0.006551, -0.00164, 0.010453, -0.002273, -0.008514, 0.006099, 0.009994, 0.001727, -0.003503, -0.005397, -0.014384, -0.002196, 0.00564, 0.002136, -0.009665, -0.000379, -0.003469, -0.005042, 0.01201, -0.00942, 0.012677, -0.004674, -0.001018, -0.002935, 0.00282, 0.006483, 0.004351, -0.007441, 0.001684, -0.000724, 0.003363, 0.001018, -0.002935, -0.00282, -0.000934, -0.009939, 0.007297, 0.003034, 0.000859, -0.006068, -0.009709, -0.015396, -0.000508, 0.008514, 0.006099, -0.009994, -0.004675, 0.002424, 0.005804, 0.003469, -0.005042, -0.01201, -0.003118, 0.000507, -0.003869, 0.00409, 0.001182, -0.008853, -0.005762, -0.004855, 0.00017, 0.012937, 0.009198, 0.004536, 0.003677, -0.001004, -0.001415, 0.001057, 0.002451, 0.001494]]},
 "free_energy": -619.01567284,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.336416379041477,
 "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", [7.23002, 13.36333, 12.45907, 5.20671, 11.02039, 10.64864, 6.04974, 11.51861, 12.66757, 9.40423, 14.83253, 10.94275, 9.07758, 13.13297, 13.71379, 7.32127, 11.97486, 6.45129, 6.02296, 8.49, 12.54719, 5.9333, 9.03061, 7.51193, 10.59577, 14.83253, 9.05725, 7.32343, 6.67928, 12.53045, 10.92242, 13.13297, 6.28621, 12.67873, 11.97486, 13.54871, 8.6543, 8.99179, 5.4348, 11.3457, 8.99179, 14.5652, 12.76998, 13.36333, 7.54093, 9.32076, 5.1192, 10.86463, 10.4822, 5.84755, 12.64244, 13.95026, 11.51861, 7.33243, 9.5178, 5.84755, 7.35756, 14.79329, 11.02039, 9.35136, 14.0667, 9.03061, 12.48807, 10.67924, 5.1192, 9.13537, 13.97704, 8.49, 7.45281, 12.67657, 6.67928, 7.46955, 7.82369, 12.55536, 11.99681, 6.28536, 10.78222, 10.64113, 6.9103, 11.2704, 12.02217, 7.77692, 12.54037, 9.47187, 8.26351, 13.02669, 10.6281, 6.91214, 11.37737, 9.41314, 9.5811, 13.77395, 10.6773, 8.5088, 12.60504, 8.19497, 9.19077, 12.50502, 12.81213, 7.55233, 10.01327, 12.56605, 7.08205, 10.72875, 8.23474, 6.53533, 9.27874, 10.6134, 10.23335, 13.06896, 11.85321, 7.94334, 11.53817, 7.26009, 6.93458, 8.75844, 11.98213, 8.74822, 9.98374, 13.18186, 6.85167, 9.25283, 8.0943, 9.63654, 11.12991, 13.22229, 9.76665, 13.06896, 8.14679, 10.4189, 13.77395, 9.3227, 6.82428, 8.61829, 9.48191, 9.07377, 10.71681, 6.71442, 11.4912, 12.60504, 11.80503, 7.87034, 7.46908, 11.98304, 10.92623, 10.71681, 13.28558, 11.73649, 13.02669, 9.3719, 10.80923, 12.50502, 7.18787, 9.58859, 8.77619, 13.25696, 8.06924, 8.55315, 7.48184, 7.75334, 7.47518, 9.49012, 10.36346, 11.12991, 6.77771, 12.05666, 11.53817, 12.73991, 8.97166, 9.20676, 6.47646, 12.22308, 12.54037, 10.52813, 9.23942, 7.65264, 12.61227, 8.28038, 6.96044, 10.61556, 11.02834, 9.20676, 13.52354, 12.17631, 12.55536, 8.00319, 8.46665, 7.49238, 8.22681, 10.41141, 8.77619, 6.74304, 13.08786, 11.37737, 10.58686, 11.25178, 9.98374, 6.81814, 9.57228, 6.17499, 10.66236, 12.91795, 10.72875, 11.76526, 10.26759, 6.7133, 11.99085, 11.93076, 8.55315, 12.51816, 13.0897, 11.2704, 7.97783, 9.73241, 6.7133, 8.00915, 10.76058, 7.65264, 7.38773, 13.71464, 10.78222, 9.35887, 13.14833, 9.25283, 11.9057, 11.53335, 7.49238, 11.77319, 12.44767, 10.01327, 7.43395, 10.42772, 6.17499, 9.33764, 13.06542, 8.75844, 8.01787, 13.17572, 8.61829, 10.51809, 11.71962, 6.96044, 9.38444, 12.24666, 7.47518, 10.50988, 12.12966, 7.46908, 8.01696, 13.46467, 9.27874, 9.3866]]},
 "stress": {"__ndarray__": [[6], "float64", [9.265520297373697e-05, 8.472848638386524e-05, 0.00013459190279054657, -0.0, 3.6038473692849935e-05, -0.0]]},
 "unique_id": "ea12a811a1e26e5020dd50461c377dae",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}