{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [17.081700773, -0.056491922, -0.353217572, -0.056068672, 16.792849062, -0.151568769, -0.353302954, -0.151211156, 16.913837519]]},
 "ctime": 20.60262309886247,
 "energy": -615.5294732,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.105899, 0.053711, 0.008484, -0.096055, 0.194352, 0.041852, 0.076486, 0.107067, 0.004961, -0.128578, 0.104162, 0.098274, 0.065621, 0.031097, 0.203565, 0.050089, 0.07885, -0.102774, -0.124513, 0.010779, -0.161135, 0.11111, 0.139069, -0.18639, -0.133455, 0.050075, 0.020079, 0.152246, -0.124324, -0.478287, 0.005196, -0.289504, 0.148754, 0.196647, -0.024266, 0.130649, -0.123635, 0.018054, -0.134337, 0.097127, 0.218362, -0.069461, 0.070897, -0.013676, 0.163757, -0.062101, 0.104488, -0.065146, -0.066008, -0.052485, 0.183111, 0.009892, -0.106695, -0.112364, 0.113212, 0.144515, 0.09558, -0.079146, 0.094633, -0.121772, 0.041248, -0.053708, 0.084226, -0.18824, 0.131868, -0.277984, -0.071007, 0.14658, 0.030768, -0.027413, 0.048454, 0.085594, -0.103667, -0.003515, 0.062279, -0.097239, -0.030367, 0.099474, 0.02301, -0.097379, 0.084917, 0.001275, 0.065101, -0.191914, -0.143164, -0.092155, 0.019169, 0.020249, -0.061026, -0.042362, -0.019926, 0.053781, -0.003156, -0.072558, 0.263804, -0.247734, -0.037191, 0.395579, 0.467042, 0.033049, -0.110704, -0.078067, -0.15238, 0.020836, -0.123921, -0.246932, -0.195029, 0.076666, -0.069644, -0.145077, -0.137025, 0.164685, 0.008027, 0.035531, 0.095088, -0.150748, 0.020894, -0.001038, -0.128255, 0.078391, -0.141867, -0.126871, -0.035505, -0.01778, 0.086543, 0.257861, 0.049963, 0.070021, -0.196358, 0.173334, 0.04418, -0.151391, -0.071155, -0.070214, 0.209866, 0.052163, -0.15417, 0.119441, -0.083418, 0.087066, -0.064213, 0.158592, -0.000271, 0.061851, -0.088858, 0.206241, 0.132576, 0.255871, 0.093119, 0.07868, -0.033261, -0.060046, -0.186283, -0.123994, -0.202081, 0.093374, -0.204993, 0.033119, -0.073186, -0.03217, 0.034602, 0.158906, 0.124342, -0.055127, -0.073611, -0.024229, 0.022076, 0.110132, 0.071895, -0.054491, -0.058132, 0.315799, 0.037631, 0.194374, 0.001205, -0.380793, 0.072973, 0.11834, 0.014801, -0.051964, -0.051759, -0.053671, -0.083465, 0.216102, -0.012863, 0.011606, -0.124239, -0.143014, -0.033514, 0.033422, 0.154656, -0.128678, 0.064894, -0.145168, 0.172651, 0.044275, -0.045756, -0.075134, 0.114856, 0.158421, 0.018853, -0.020012, 0.021322, 0.145122, 0.017394, -0.093374, -0.074701, -0.101942, 0.050162, 0.068822, -0.092634, -0.077199, 0.064384, -0.11299, 0.147581, 0.023071, 0.033074, 0.140345, -0.006978, -0.080022, -0.097655, 0.239276, 0.031893, -0.031225, -0.032746, -0.105903, 0.000698, -0.128362, -0.035267, -0.107047, 0.007675, 0.00673, -0.012546, -0.13533, 0.054664, -0.097432, -0.051921, 0.084445, -0.070377, -0.032294, 0.087763, -0.150051, -0.1361, 0.070947, 0.015369, -0.027916, 0.167117, 0.051855, -0.097619, 0.020078, -0.032699, -0.016276]]},
 "free_energy": -615.65256116,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.58727232020131,
 "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", [6.17968, 11.26232, 10.9662, 3.8019, 8.65413, 8.87281, 4.40365, 9.92871, 10.6154, 5.57864, 11.78198, 6.96385, 5.85102, 12.42115, 9.029, 3.95096, 10.3033, 7.43587, 8.01335, 13.12793, 9.17473, 4.95601, 8.09343, 11.82466, 4.33831, 9.22773, 5.4916, 8.53149, 11.97528, 11.06876, 6.03899, 10.53916, 4.76901, 4.42655, 6.63595, 10.16447, 6.90293, 8.10106, 12.86294, 4.45986, 7.04104, 5.54769, 7.76897, 10.16141, 12.38529, 7.72761, 12.21339, 5.72785, 9.16304, 13.00165, 7.28065, 4.04386, 6.54325, 7.71921, 9.82225, 9.26598, 12.79705, 9.47839, 11.36388, 4.54654, 5.16553, 4.57772, 7.37379, 9.75421, 7.01606, 12.80073, 11.30159, 11.40791, 5.84222, 6.36308, 4.70654, 5.46025, 6.38608, 10.59035, 10.09129, 4.88245, 8.94205, 8.75693, 5.30335, 9.50233, 10.14799, 6.02938, 10.93431, 7.54601, 6.50552, 11.55267, 8.8704, 4.93692, 9.82294, 7.51064, 8.02808, 12.06342, 8.90288, 7.06726, 10.47853, 6.63384, 7.75348, 10.13473, 10.34376, 5.70775, 8.20638, 11.02345, 5.19586, 9.02062, 6.14027, 5.50785, 7.63394, 8.65244, 8.64082, 11.32309, 10.14543, 6.41458, 9.76219, 5.49729, 5.46949, 7.02814, 10.01355, 7.1073, 8.18389, 11.77352, 5.29203, 7.44318, 6.16638, 8.01396, 9.41011, 11.59209, 8.17779, 11.37762, 6.31582, 8.86549, 11.97015, 7.56947, 5.12996, 6.75594, 7.53502, 7.51615, 8.94698, 4.91507, 9.99239, 10.71204, 10.02374, 6.48065, 5.94217, 9.91948, 9.51328, 8.95918, 11.79081, 10.12833, 11.1667, 7.62848, 9.27983, 10.71309, 5.40748, 8.05012, 7.06392, 11.43983, 6.55592, 6.82639, 5.64211, 5.90567, 5.38295, 7.49727, 8.82806, 9.36476, 4.93045, 10.37633, 9.60028, 10.7443, 7.50026, 7.49937, 4.9558, 10.69459, 10.71151, 8.76264, 7.71122, 6.00174, 10.68094, 6.70076, 5.21082, 8.76741, 9.50386, 7.38518, 11.77503, 10.58798, 10.67693, 6.27009, 6.79018, 5.43026, 6.1876, 8.87884, 7.02247, 4.92457, 11.61779, 9.58167, 8.76436, 9.69176, 8.19445, 4.92805, 8.08513, 4.75023, 8.7787, 11.37968, 8.87888, 9.98602, 8.71239, 5.20737, 9.98079, 10.44308, 6.74835, 10.78114, 11.3008, 9.35095, 6.35981, 8.25621, 5.13525, 6.35974, 9.23556, 5.86349, 5.62851, 11.89857, 8.90718, 7.57272, 11.40748, 7.4718, 10.02876, 10.0591, 5.60593, 10.0269, 10.91236, 8.2041, 5.62887, 8.83515, 4.71855, 7.58585, 11.29823, 7.00404, 6.37924, 11.6769, 6.74898, 8.78871, 10.23196, 5.15752, 7.60985, 10.83333, 5.58175, 8.79141, 10.47739, 5.87146, 6.38669, 11.91589, 7.44475, 7.59828]]},
 "stress": {"__ndarray__": [[6], "float64", [-0.00033269740244608114, -0.0004679758712404749, -0.00035766968045874005, -5.410140110315608e-05, 9.365384443387828e-05, 0.00012174687700947884]]},
 "unique_id": "a3a36d936b6e435b227a92b644151144",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}