{"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": 20.636160434696734,
 "energy": -615.42580827,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.000486, 0.000576, 0.006297, 0.003346, 0.000331, -0.002097, -0.00272, 0.005266, -0.001781, 0.005485, -0.002467, -0.003008, 0.008994, 0.001351, -0.001184, 0.002214, -0.004058, -0.001219, 0.002717, -0.005253, -0.004753, -0.003236, 0.006648, 0.0049, 0.003344, -0.002215, -0.000431, -0.005003, -0.002841, -0.002201, 0.003611, 0.001368, 0.003243, -0.005147, 0.000912, 0.003842, -0.003014, -0.002522, -0.00404, 0.002531, 0.00477, 0.003098, -0.000274, -0.006195, 0.003004, 8e-05, 0.003752, 0.000941, 0.002391, 0.003072, -0.004743, -0.001455, 0.000409, -0.004554, -0.001955, 0.003404, 0.000312, 0.003389, -0.000971, 0.001418, -0.005324, -0.004925, -0.003713, -0.005807, 3.4e-05, 0.000439, 0.005806, 0.005066, 0.002221, -0.004952, 0.000416, 0.002861, -0.008624, 0.006713, 0.003355, 0.000471, 0.000103, -0.006143, -0.004424, 0.003627, 0.007685, 0.003471, 0.001153, 0.002675, 0.001279, 0.000932, -0.005889, -0.009773, -0.001185, 0.007286, 0.002387, -0.000432, -0.001999, -0.000598, 1.2e-05, 0.007268, -0.000341, -0.001151, 0.005467, -0.000648, -0.000494, -0.001822, -0.004922, 0.001578, 0.009155, 0.002792, -0.001912, -0.005147, 0.007259, -0.000196, -0.001134, 0.001866, 0.004848, 0.000151, 0.001822, -0.002686, 0.000571, 0.003151, -0.00848, 0.000573, 0.000304, 0.002235, 0.001724, 0.00097, 0.0129, 0.003263, 0.001435, -0.001569, -0.003499, 0.006517, 0.000952, 0.001003, 0.000354, 0.00608, 0.007147, -0.002419, -0.010276, 0.003334, -0.004861, 0.002418, -0.00025, 0.008496, -0.006027, -0.000152, -0.002688, -0.013565, 0.001679, 0.010043, 0.001934, 0.00583, 0.006479, -0.003746, 0.008906, -0.000816, 0.010625, 0.00026, -0.002455, 0.005242, -0.002117, -0.001261, -0.003997, 0.006062, -0.008855, 0.010761, 0.001074, -0.007088, -0.000642, 0.000885, -0.001075, -0.002808, -0.001426, -0.006602, 0.004767, -0.005816, -0.002684, -0.007024, -0.010598, -0.009656, -0.00857, -0.002999, -0.005623, 0.014494, 0.002326, -0.004522, 0.003414, -9e-06, -0.002184, -0.007874, -0.006108, 0.000945, -0.013652, -0.007563, 0.00872, 0.002665, 0.001302, 0.005329, -0.017968, -0.002992, -0.000998, 0.000559, 0.002186, -0.002064, 0.000732, 0.001044, -0.005815, -0.000106, 0.000451, -0.000827, 0.00054, 0.000145, -0.002018, -0.002232, -0.006505, -0.004934, -0.006826, -0.003619, -0.000365, 0.006857, -0.00619, 0.006058, 0.00237, 0.001135, -0.002047, -0.001554, 0.001844, 0.010856, 0.004274, -0.005235, -0.004811, 0.001816, -0.004384, 0.005766, 0.001449, -0.001543, -0.002938, -0.001676, -0.003317, 0.011147, 0.001117, -0.00733, 0.002145, 0.001884, 0.001555, 0.001294, 0.004215, 0.006382, 0.000734, 0.002051, -0.00136, 0.002314, -0.0046, 0.00257]]},
 "free_energy": -615.74282313,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.584773053211208,
 "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", [7.20945, 13.35948, 12.47345, 5.16773, 10.76871, 10.81788, 6.04468, 11.54049, 12.67906, 5.61685, 12.09685, 9.09599, 9.47947, 14.76823, 10.92998, 9.13422, 13.37104, 13.53544, 6.07242, 8.46123, 12.46703, 5.91942, 8.9359, 7.53163, 9.44219, 11.49256, 14.6793, 12.40836, 14.20468, 9.02544, 6.54241, 6.53902, 9.181, 12.73121, 12.04191, 13.49974, 13.1573, 13.68033, 11.0484, 7.68648, 5.72585, 10.90179, 7.70673, 6.42917, 7.32061, 10.42836, 8.46408, 5.32013, 14.5168, 11.95513, 10.98136, 9.71788, 5.64201, 7.52527, 11.28287, 6.76369, 6.46542, 14.80457, 11.07328, 9.02033, 13.41304, 9.95363, 6.50203, 14.41964, 8.01531, 10.97621, 12.38343, 5.83764, 9.0697, 14.71642, 8.87826, 8.95268, 7.81537, 12.56346, 12.00599, 6.26012, 10.7537, 10.66131, 6.89943, 11.27583, 12.03189, 7.68145, 12.5593, 9.47375, 8.22852, 13.01136, 10.62793, 6.54632, 11.55285, 9.36033, 9.59665, 13.69456, 10.64989, 8.43682, 12.55138, 8.25121, 9.2003, 12.54474, 12.80698, 7.56592, 10.04304, 12.58625, 7.00936, 10.71962, 8.16854, 6.67415, 9.30054, 10.56191, 10.25068, 12.93376, 11.78794, 8.05587, 11.37031, 7.52219, 7.00816, 8.77106, 11.94393, 8.74066, 10.03868, 13.26092, 6.85801, 9.23575, 8.05523, 9.57552, 11.26358, 13.60265, 9.79749, 12.95816, 8.26394, 10.39132, 13.50704, 9.39678, 6.89855, 8.61187, 9.43756, 9.01229, 10.66589, 6.7428, 11.52642, 12.53377, 11.76656, 8.00208, 7.65861, 11.83085, 10.98639, 10.73554, 13.36116, 11.89785, 13.27471, 9.34822, 10.77496, 12.25122, 7.47828, 9.59104, 8.87941, 13.25651, 8.05726, 8.53458, 7.41348, 7.41746, 7.19295, 9.33842, 10.38898, 11.08561, 6.76315, 12.09785, 11.522, 12.74248, 9.00527, 9.22844, 6.73814, 12.54729, 12.83361, 10.68931, 9.23107, 7.74668, 12.47846, 8.11871, 6.71253, 10.63865, 10.95154, 9.34928, 13.23695, 12.00215, 12.25077, 8.2272, 8.24246, 7.14576, 7.9679, 10.40116, 8.7285, 6.39656, 13.52701, 11.56869, 10.68045, 11.23226, 9.98593, 6.63733, 9.62869, 6.56584, 10.52594, 12.98171, 10.71061, 11.79334, 10.23438, 7.01634, 11.7487, 11.94922, 8.63451, 12.52219, 12.83055, 11.17894, 8.20728, 9.74026, 6.64179, 7.99364, 10.84943, 7.4714, 7.1929, 13.77622, 10.80466, 9.31976, 12.94166, 9.3567, 11.77379, 11.57376, 7.48824, 11.7364, 12.5936, 10.0028, 7.25764, 10.33728, 6.52076, 9.37217, 12.72347, 8.8488, 8.2344, 13.46017, 8.46785, 10.65309, 11.84583, 6.7743, 9.35036, 12.3779, 7.39325, 10.6041, 11.92693, 7.77501, 8.21255, 13.72551, 9.20575, 9.31194]]},
 "stress": {"__ndarray__": [[6], "float64", [8.30994525020097e-05, 0.00010135586669521822, 0.00011715936780195463, -2.5215696868568366e-06, 6.116678943365592e-07, -2.9023017435357147e-06]]},
 "unique_id": "c629a2b0d0ab44c6676395328aed594c",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}