{"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": 20.60264887678199,
 "energy": -595.88437615,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.001874, 0.001013, 0.00101, 0.000131, 9.5e-05, 8.4e-05, 0.0001, -0.003678, -0.001251, 0.00024, 0.000117, -0.000508, -0.0007, 0.000481, 0.00146, 0.000575, 0.001165, 0.00072, -0.002697, -0.000272, -0.000682, -0.002309, 0.000152, 0.003299, 0.001011, -0.001239, 0.000935, -5.4e-05, -0.00182, 0.000969, -0.002273, 0.002791, -0.001069, 0.002746, 0.000737, 0.001382, -0.003656, 0.001106, -7.7e-05, -0.00039, 0.002138, -3.6e-05, 0.000215, -0.000948, -0.000512, 0.000166, 0.002652, -0.001057, -0.000494, 0.000321, 0.001384, -0.001421, -0.000967, -0.000579, -0.004034, -0.005114, -0.002933, -0.002283, -0.004783, 0.007267, 0.002502, 0.003673, -0.000207, 0.001433, 0.003616, -0.001724, -0.000134, -0.000229, 0.001657, -0.002286, -0.004865, 6e-06, 0.000914, 0.002136, -0.00281, 0.001253, -0.003014, -0.000869, 6.4e-05, -0.002578, 0.001787, -0.003564, 0.001412, -0.003393, -0.003131, -0.002742, -0.002288, -0.000526, 0.001153, -0.000525, -0.000816, 0.002247, -0.004769, 8.8e-05, -0.005457, -0.002629, -0.000741, -0.0008, -0.002404, -0.003072, 0.001047, -0.001657, -0.003905, 0.000745, -0.002158, -0.001068, -0.000433, -0.000721, 0.004469, 0.003161, 0.000399, -0.000984, 0.001174, 0.004395, 0.00034, -0.004297, -0.002483, -0.000561, -0.003115, 0.000815, -0.000672, 0.001347, -0.000413, 0.001674, -0.002956, -0.000262, -0.003933, -0.002336, 0.003584, -0.002461, 0.001752, -0.002023, 0.001111, -0.002516, 0.000396, 0.0054, -0.004754, 0.001578, 0.001442, -0.002427, -4.6e-05, -0.000121, 0.001423, 0.003311, 0.005465, -0.001701, -0.000614, -0.000565, 0.001578, -0.000585, 2e-05, 0.005136, 0.000412, -0.001303, 0.000801, -0.00292, 0.002673, 0.002282, -0.001374, 0.002202, -0.001055, 0.001009, -0.003746, 0.000365, 0.002237, 0.002093, 0.000111, 0.004415, -0.003668, 0.001148, -0.001702, 0.001259, 0.000111, 0.000452, -2.9e-05, -0.000408, 0.002424, -0.001724, -0.001891, 0.00169, 0.004726, 0.001752, 0.006043, -0.002144, 0.001116, -0.001276, -0.000344, -0.001149, -0.002488, 0.000804, 0.000706, -0.000892, -0.000987, 0.003725, -0.000307, 0.005127, -0.004165, -0.002485, 0.005477, -0.002449, 0.002882, -0.001758, 0.002667, -0.006135, 0.001857, -0.000265, 0.00224, -0.004172, 0.000332, -0.000487, 0.002837, 0.003741, 2.6e-05, 0.000707, 0.001477, -0.00015, -0.0012, -0.002524, -0.000122, -0.003183, 0.001892, -0.000689, 0.005522, 0.001274, 0.00382, 0.001879, 0.000758, -0.000175, 0.001646, 0.004526, -0.005103, 0.001067, 0.003798, 0.003504]]},
 "free_energy": -595.98346528,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.336416448243003,
 "numbers": {"__ndarray__": [[78], "int32", [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__": [[78, 3], "float64", [12.14456, 6.44267, 12.50944, 11.57083, 10.91465, 14.5454, 6.81993, 13.62182, 9.19614, 10.52657, 5.25289, 9.17412, 9.37016, 11.51068, 14.71133, 13.86639, 8.33207, 7.41825, 5.46308, 8.1736, 9.14381, 8.76416, 13.27412, 13.57835, 6.76091, 6.3195, 8.98687, 7.66987, 5.72797, 10.91259, 10.41273, 14.33184, 12.42741, 10.54754, 8.34704, 5.37969, 13.18227, 13.55783, 10.81154, 14.45723, 7.93697, 10.73273, 6.63972, 9.98359, 13.54098, 11.04394, 13.20264, 6.39825, 9.02621, 6.87929, 13.59302, 14.08193, 9.14357, 12.61841, 8.05675, 12.27334, 11.82022, 6.64734, 10.69989, 10.55424, 7.23735, 11.17834, 11.80472, 7.51251, 12.76591, 9.34229, 8.3139, 12.98887, 10.6025, 6.76693, 11.43742, 9.36118, 9.60514, 13.46648, 10.6001, 8.4328, 12.60848, 8.13036, 9.15334, 12.55734, 12.83931, 7.41128, 9.99811, 12.74539, 7.07428, 10.70369, 8.17321, 6.61193, 9.2898, 10.57045, 10.25075, 13.33138, 11.98712, 8.06234, 11.42169, 7.41086, 7.21898, 8.81976, 11.77466, 8.80883, 10.01168, 13.28942, 7.0504, 9.29357, 8.14209, 9.58009, 11.27335, 13.6551, 9.7333, 13.04902, 8.13712, 10.35735, 13.43683, 9.3824, 6.51805, 8.4652, 9.31082, 9.03447, 10.69545, 6.67192, 11.53522, 12.58361, 11.83165, 7.93842, 7.66763, 11.83311, 11.0797, 10.78813, 13.56526, 11.69792, 12.9814, 9.3633, 10.7999, 12.47593, 7.20212, 9.60296, 8.91907, 13.20894, 8.06421, 8.61479, 7.43584, 7.41447, 7.15127, 9.29373, 10.39769, 11.1479, 6.61628, 11.8735, 11.44767, 12.49068, 8.99148, 9.28389, 6.62042, 12.45753, 12.73702, 10.62824, 9.16556, 7.56401, 12.73076, 8.08863, 6.71983, 10.64974, 10.99829, 9.30703, 13.20248, 11.97774, 12.30918, 8.16003, 8.42521, 7.41863, 8.18608, 10.41156, 8.76741, 6.39553, 13.18711, 11.40015, 10.60276, 11.24959, 10.0375, 6.60124, 9.61265, 6.61066, 10.61006, 12.90818, 10.72234, 11.75382, 10.19465, 7.02666, 11.74529, 11.95731, 8.61144, 12.55225, 12.7765, 11.15387, 8.13815, 9.73077, 7.03356, 8.1922, 10.75101, 7.75903, 7.45551, 13.38747, 10.66073, 9.38027, 13.20112, 9.26306, 11.96275, 11.67957, 7.25547, 11.91142, 12.46471, 10.0363, 7.31855, 10.39257, 6.33596, 9.36448, 13.02325, 8.77496, 7.98713, 13.48596, 8.44979, 10.60833, 11.7388, 7.05545, 9.41693, 12.35795, 7.41658, 10.5603, 11.92541, 7.76272, 8.16444, 13.47845, 9.2953, 9.35532]]},
 "stress": {"__ndarray__": [[6], "float64", [8.594558066341246e-05, 6.000586873624165e-05, 8.810514282096808e-05, 2.9703341930078425e-05, 5.4800450125255e-06, -1.6852074639884797e-07]]},
 "unique_id": "f3751eba3aa6b72df3dc2e25ad8cbd66",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}