{"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": 20.636157473380738,
 "energy": -621.91772835,
 "forces": {"__ndarray__": [[84, 3], "float64", [0.000539, 0.0032, -0.000918, -0.000172, 0.001511, 0.003999, 0.004041, -0.000104, 0.001173, -0.00101, -0.001795, -0.000756, 0.001337, 0.000225, -0.002321, -0.001007, -0.000562, 2e-06, 0.001196, -0.003091, -0.003787, 0.005275, 0.001202, -0.000943, 0.00242, -0.002717, 0.003146, 0.002741, -0.001891, 0.001415, 0.001624, -0.002419, -0.000811, 0.002813, -0.004703, -0.000416, -0.00273, 0.000629, 0.000791, -0.002932, 0.002179, -0.000165, -0.002649, 0.002315, 0.000833, -0.001533, 0.002598, 0.001562, -0.001521, 0.000317, 0.001819, -0.003298, 0.000204, -0.000959, 0.002302, 0.000777, 0.00047, -0.000917, -0.00151, 0.000669, -0.000779, 0.000758, -0.001292, -0.002558, 0.000231, 0.000233, -0.000131, 0.00015, -0.001086, -0.000197, 0.000452, 0.000933, 0.001893, 0.00481, -8e-05, -0.001105, -0.001392, -5.3e-05, -0.001635, 0.002628, -0.002401, -0.00428, 0.001558, -0.002261, -0.004132, -0.006449, 0.002092, 0.005454, 0.00387, 0.005327, 0.005215, 0.003079, -0.002042, -0.001363, -0.005832, 0.000573, -0.001118, 0.001316, -0.004263, -0.002358, 0.002166, 0.004511, -0.007378, -0.002494, -0.00257, 0.001967, 0.002964, 0.005252, 0.00465, 0.001428, -0.001696, -0.001504, 0.001994, 0.000798, -0.002565, 0.003607, 0.000532, 0.005139, 0.002821, -0.001433, 0.000761, -0.000219, 0.004684, 0.003773, -4e-06, -0.002373, -0.002534, -0.00597, -0.001115, -0.002644, 0.001279, -0.004453, 0.002661, -0.000554, 0.00074, -0.002556, -0.002094, -0.003937, -0.007334, 0.008445, -0.001367, 0.000639, -0.004804, 0.001376, 0.001544, 0.000587, 0.00072, -0.000149, -0.006034, -0.001173, 0.003435, -0.001748, -0.002224, -0.001615, -0.001201, -0.006002, 0.003883, 0.001735, -0.001448, 0.000992, -0.001706, 0.00083, -0.001352, -0.000193, -0.000481, 0.0023, -0.002183, 0.000797, -0.000987, -0.001815, 0.002667, -0.000924, -0.004437, -0.001554, 0.00331, 0.008232, 0.004197, -0.002158, 0.002059, 0.001756, -0.000944, -0.002253, 0.003501, 0.001757, 0.002472, 0.000256, -0.009926, 0.002481, 0.000813, -0.001439, 0.003765, -0.000554, -0.001644, 5.8e-05, 0.001105, 0.001756, 0.000795, 0.003544, -0.000432, 0.003513, -0.00323, -0.001468, -0.006001, -0.001361, -0.004897, -0.000545, -0.000258, -0.000106, -0.002859, 0.00127, 0.002493, 0.000215, 0.001258, 0.006234, 0.000243, -0.004234, 0.000933, -0.002308, -0.003855, 0.00381, 0.001424, 0.000976, -0.002082, 0.004638, -0.000484, 0.001063, -0.006081, 0.00265, -0.001591, 0.002005, 0.000633, -0.00028, 0.002728, 0.000117, 0.002403, -0.003395, -0.000468, 0.001026, -0.004508, -0.000872, -0.00075, -0.00307, -0.003058, 0.004097, 0.003691, -0.003561, 0.000335, 0.002527, 0.00737, -0.001124, -0.002943, 0.000927]]},
 "free_energy": -621.91772836,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.586701305537684,
 "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", [7.4124, 13.23479, 12.75252, 5.15107, 10.75519, 10.80609, 5.9538, 11.69216, 12.58558, 6.85276, 13.70067, 8.94121, 7.46552, 14.32685, 10.88207, 5.42962, 12.08293, 9.16444, 9.60235, 14.86651, 11.0432, 6.50841, 9.79042, 13.56385, 5.97131, 11.09721, 7.2619, 8.40988, 10.03669, 14.68741, 5.87745, 8.88864, 7.49437, 10.55191, 14.824, 9.03448, 10.52783, 8.49841, 5.3121, 14.41631, 12.01627, 10.9661, 10.21603, 5.73514, 12.50555, 10.87841, 6.61482, 6.43834, 14.75199, 11.12616, 8.95778, 12.28724, 6.5066, 12.73697, 13.87646, 8.53947, 7.24863, 14.49145, 8.1489, 11.05906, 12.21516, 5.62261, 9.19289, 13.39215, 6.29634, 10.8349, 12.85939, 6.67585, 7.41386, 14.89892, 8.92692, 9.11907, 7.82357, 12.52735, 12.01176, 6.24291, 10.79443, 10.64861, 6.82404, 11.31827, 12.0312, 7.43352, 12.85433, 9.34723, 8.01972, 13.39781, 10.6977, 6.41652, 11.63439, 9.33468, 9.57194, 13.81898, 10.70293, 8.4604, 12.50266, 8.30714, 9.22062, 12.2007, 12.46147, 7.29168, 9.99466, 12.8163, 6.75434, 10.82341, 7.98714, 6.71262, 9.36924, 10.55587, 10.19099, 12.94666, 11.75385, 8.06438, 11.39107, 7.52854, 7.26624, 8.91527, 11.77527, 8.65968, 9.98435, 13.61331, 6.79398, 9.24037, 7.99945, 9.57964, 11.11671, 13.22976, 9.75476, 12.96777, 8.27314, 10.41266, 13.77868, 9.3615, 6.88717, 8.66048, 9.38905, 8.98623, 10.69283, 6.75722, 11.52805, 12.56729, 11.7593, 8.05981, 7.77521, 11.81953, 10.93056, 10.67206, 13.19039, 11.79325, 13.08298, 9.42683, 10.72603, 12.22486, 7.54557, 9.59571, 8.77601, 13.37319, 8.02218, 8.57004, 7.33785, 7.7529, 7.53162, 9.40251, 10.35323, 11.09223, 6.80823, 11.89209, 11.37703, 12.45338, 8.96205, 9.23727, 6.62585, 12.37733, 12.65767, 10.57327, 9.25079, 7.67617, 12.66147, 8.34533, 7.09974, 10.5975, 10.97269, 9.24877, 13.2417, 11.9699, 12.24713, 8.24073, 8.48353, 7.46824, 8.18066, 10.40059, 8.72006, 6.38607, 13.46606, 11.55962, 10.63823, 11.19327, 9.94474, 6.77011, 9.68683, 6.62536, 10.61085, 12.899, 10.68323, 11.72663, 10.26744, 6.71538, 12.00028, 11.92156, 8.58783, 12.47072, 12.74408, 11.09295, 8.2464, 9.81293, 7.06672, 8.2261, 10.83148, 7.42366, 7.185, 13.76507, 10.77334, 9.29739, 12.85629, 9.30828, 11.69253, 11.78503, 7.16695, 12.01197, 12.33444, 9.93919, 7.53963, 10.4154, 6.67971, 9.44466, 13.07659, 8.71159, 7.98939, 13.50751, 8.44041, 10.65244, 11.91573, 6.6732, 9.35112, 12.66078, 7.09649, 10.66453, 12.23518, 7.3878, 7.96836, 13.84407, 9.16668, 9.30311]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0001021859874089607, 9.92462366106697e-05, 0.00011203508880960448, -7.258875113402229e-06, -2.4716376138497703e-06, 5.767154432316131e-06]]},
 "unique_id": "cf5533814b31a88e61feeb129f5f5caf",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}