{"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": 20.635550627267484,
 "energy": -657.19230687,
 "forces": {"__ndarray__": [[96, 3], "float64", [-0.004367, 0.003139, 0.001588, 0.003454, -0.005538, 0.003582, 0.00024, 0.002323, 0.002094, -0.003967, 0.004159, 0.006893, 0.000673, -0.00331, 0.000272, 0.002625, -0.004046, -0.001257, -0.003975, 0.00208, 0.001119, -0.005314, -0.006535, -0.00025, 0.004342, -0.000211, 0.003539, -0.001205, 0.001849, -0.004047, -0.000679, 0.002049, -0.005333, 0.003975, 0.00208, -0.001119, 0.003967, 0.004159, -0.006893, 0.007311, 0.001204, -0.005509, -0.003454, -0.005538, -0.003582, -0.000673, -0.00331, -0.000272, 0.000509, 0.003356, 0.009903, -0.003737, 0.00193, -0.004161, 0.000679, 0.002049, 0.005333, 0.004996, 0.00592, 0.005693, 0.004367, 0.003139, -0.001588, -0.003451, -0.010333, 0.001959, -0.004996, 0.00592, -0.005693, -0.000509, 0.003356, -0.009903, -0.00024, 0.002323, -0.002094, -0.004342, -0.000211, -0.003539, 0.001892, 0.001807, -0.003668, -0.003231, -0.005092, 0.002254, 0.003737, 0.00193, 0.004161, 0.003231, -0.005092, -0.002254, 0.003451, -0.010333, -0.001959, 0.001205, 0.001849, 0.004047, -0.001892, 0.001807, 0.003668, 0.005314, -0.006535, 0.00025, -0.007311, 0.001204, 0.005509, -0.002625, -0.004046, 0.001257, 0.001613, -0.002334, 0.002405, 0.001488, 0.000606, -0.000652, -0.003585, 0.007007, 0.006087, -0.008322, -0.003445, -0.005773, 0.01233, -0.002579, -0.007, 0.000211, -0.000349, 0.001522, 0.003043, 0.001535, -0.003383, 0.000807, -0.003081, -0.007591, -0.000647, -0.002644, 0.005665, -0.001747, 0.001671, 0.004105, 0.002488, -0.003536, -0.000155, 0.000362, 0.001556, -0.001146, -0.00313, 0.004614, -0.004849, 0.002351, 0.004898, -0.006773, -0.008916, 0.004934, -0.007375, 0.004593, 6.2e-05, 0.002529, -0.000915, 0.001644, 0.001687, 0.002942, -7.6e-05, 0.001303, 0.00313, 0.004614, 0.004849, -0.003043, 0.001535, 0.003383, 0.004884, 0.002072, -0.000264, 0.002548, 0.006363, 0.002238, -0.000807, -0.003081, 0.007591, 0.007706, 0.006045, 0.001508, -0.002548, 0.006363, -0.002238, -0.01233, -0.002579, 0.007, 0.000647, -0.002644, -0.005665, -0.003709, -0.00064, -0.002847, -0.007251, -0.000592, 0.004284, 0.000368, -0.008675, 0.000374, -0.002942, -7.6e-05, -0.001303, -0.002351, 0.004898, 0.006773, 0.010065, -0.002803, 0.005922, 0.008322, -0.003445, 0.005773, 0.002229, -0.000593, 0.002674, 0.00473, -0.000679, -0.003254, -0.010065, -0.002803, -0.005922, -0.001613, -0.002334, -0.002405, 0.00038, -0.006028, 0.00487, 0.003709, -0.00064, 0.002847, -0.000211, -0.000349, -0.001522, -0.004593, 6.2e-05, -0.002529, -0.002311, -0.000845, 0.002823, -0.002488, -0.003536, 0.000155, 4e-05, 0.001141, 0.004182, 0.007251, -0.000592, -0.004284, 0.003585, 0.007007, -0.006087, -4e-05, 0.001141, -0.004182, -0.002229, -0.000593, -0.002674, -0.001488, 0.000606, 0.000652, 0.000915, 0.001644, -0.001687, -0.00038, -0.006028, -0.00487, 0.001747, 0.001671, -0.004105, 0.002311, -0.000845, -0.002823, 0.008916, 0.004934, 0.007375, -0.004884, 0.002072, 0.000264, -0.00473, -0.000679, 0.003254, -0.000368, -0.008675, -0.000374, -0.007706, 0.006045, -0.001508, -0.000362, 0.001556, 0.001146]]},
 "free_energy": -657.36819264,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.583303669222833,
 "numbers": {"__ndarray__": [[96], "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, 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__": [[96, 3], "float64", [6.89207, 13.6843, 8.92984, 7.46467, 14.08865, 11.13833, 5.45869, 11.80912, 9.15861, 9.42357, 15.02381, 10.89871, 8.7064, 13.21562, 13.44771, 5.17207, 9.0713, 10.65901, 10.67089, 14.17092, 12.55938, 6.16138, 8.56055, 12.75289, 7.97836, 9.98337, 14.50846, 5.7618, 9.11755, 7.58049, 9.74867, 11.53585, 14.63379, 9.32911, 14.17092, 7.44062, 10.57643, 15.02381, 9.10129, 7.25026, 6.5746, 12.26583, 12.53533, 14.08865, 8.86167, 11.2936, 13.21562, 6.55229, 9.48063, 8.34657, 14.83492, 7.36148, 7.7533, 6.48475, 10.25133, 11.53585, 5.36621, 8.57856, 9.33724, 5.31253, 13.10793, 13.6843, 11.07016, 8.88548, 6.63078, 13.71208, 11.42144, 9.33724, 14.68747, 10.51937, 8.34657, 5.16508, 14.54131, 11.80912, 10.84139, 12.02164, 9.98337, 5.49154, 9.2049, 5.24899, 10.83523, 10.66508, 5.84523, 12.58978, 12.63852, 7.7533, 13.51525, 9.33492, 5.84523, 7.41022, 11.11452, 6.63078, 6.28792, 14.2382, 9.11755, 12.41951, 10.7951, 5.24899, 9.16477, 13.83862, 8.56055, 7.24711, 12.74974, 6.5746, 7.73417, 14.82793, 9.0713, 9.34099, 8.27228, 12.18594, 11.6316, 6.77229, 10.62386, 10.47738, 7.69974, 10.94534, 11.50279, 7.48337, 12.84039, 9.3437, 8.11235, 13.30243, 10.68447, 6.51605, 11.55779, 9.34699, 9.57423, 13.95867, 10.6665, 8.58363, 12.45005, 8.42581, 9.1848, 12.49862, 12.74742, 7.82197, 9.88494, 12.39771, 7.17737, 10.61879, 8.36294, 6.2665, 9.2094, 10.65386, 10.29242, 13.32029, 11.94883, 8.39205, 11.1795, 7.88859, 6.97308, 8.72823, 12.01391, 8.6428, 9.95046, 13.61571, 6.77428, 9.23181, 8.00272, 9.60494, 11.22076, 13.57849, 9.70758, 13.32029, 8.05117, 10.42577, 13.95867, 9.3335, 6.97493, 8.75719, 9.42522, 9.17152, 10.57614, 6.93395, 11.41637, 12.45005, 11.57419, 7.86574, 7.45972, 11.98015, 10.82848, 10.57614, 13.06605, 11.88765, 13.30243, 9.31553, 10.8152, 12.49862, 7.25258, 9.57491, 8.65764, 13.78362, 7.89822, 8.43111, 7.1817, 8.08566, 7.87611, 9.49653, 10.39506, 11.22076, 6.42151, 11.60795, 11.1795, 12.11141, 8.93942, 9.2387, 6.3632, 12.51663, 12.84039, 10.6563, 9.13769, 7.38482, 12.95132, 8.46216, 7.23889, 10.65166, 11.06058, 9.2387, 13.6368, 11.72772, 12.18594, 8.3684, 8.62159, 7.66513, 8.22854, 10.42509, 8.65764, 6.21638, 13.48395, 11.55779, 10.65301, 11.3572, 9.95046, 6.38429, 9.58259, 6.28048, 10.67117, 12.82263, 10.61879, 11.63706, 10.27635, 6.72805, 12.03411, 12.10178, 8.43111, 12.8183, 12.30026, 10.94534, 8.49721, 9.72365, 6.72805, 7.96589, 10.86231, 7.38482, 7.04868, 13.22771, 10.62386, 9.52262, 13.22572, 9.23181, 11.99728, 11.37841, 7.66513, 11.77146, 12.17803, 9.88494, 7.60229, 10.41741, 6.28048, 9.32883, 13.02692, 8.72823, 7.98609, 13.02507, 8.75719, 10.57478, 11.53784, 7.23889, 9.34834, 11.91434, 7.87611, 10.50347, 12.13426, 7.45972, 8.01985, 13.7335, 9.2094, 9.34614]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00011176670391719152, 0.0001263094201804995, 0.00010951976063187353, -0.0, -1.1297131517848699e-05, -0.0]]},
 "unique_id": "9c7f2321d3ea5a3862d61c0b3b87ce83",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}