{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [17.980845964, 0.41782654, -0.050818531, 0.417559476, 16.233882371, -0.259940134, -0.051196468, -0.261544917, 16.926676996]]},
 "ctime": 20.60264985464649,
 "energy": -595.60796742,
 "forces": {"__ndarray__": [[78, 3], "float64", [-0.16056, -0.066326, -0.160984, -0.228191, 0.207024, -0.064037, 0.021787, 0.055568, 0.375592, 0.21425, 0.006489, 0.0008, 0.047129, -0.098429, -0.033033, -0.00777, 0.050616, 0.070415, -0.081765, -0.097446, 0.081485, 0.008532, -0.125608, -0.021144, -0.172811, -0.347016, 0.190641, 0.293915, -0.039997, 0.171658, 0.273395, -0.005124, 0.044425, 0.098799, -0.187136, 0.13152, 0.018632, -0.205174, 0.085697, -0.047879, -0.288161, -0.247425, -0.017497, -0.027601, 0.09225, 0.097297, 0.031397, -0.056779, -0.061035, 0.065301, 0.157695, 0.176962, -0.379238, 0.2211, -0.138926, -0.131665, -0.071155, -0.055253, 0.15632, -0.000625, -0.084216, -0.013058, -0.030781, 0.156122, 0.101939, -0.04153, 0.106056, 0.2743, 0.016234, -0.012028, 0.007036, 0.032473, -0.302589, 0.123666, -0.06697, 0.262189, 0.147717, -0.125054, 0.087616, 0.114927, -0.138739, 0.040169, 0.142099, 0.160851, -0.027332, -0.055767, 0.051628, 0.098573, 0.013172, 0.150191, 0.192706, -0.050026, 0.193403, -0.040652, -0.17776, 0.071229, -0.222318, 0.020589, 0.048781, -0.128754, -0.054338, 0.040301, 0.026043, 0.217268, 0.002344, 0.056931, 0.051828, -0.045981, -0.263061, 0.181189, -0.10791, 0.070546, -0.056459, -0.251588, 0.298206, -0.116016, 0.044123, -0.162284, -0.081665, -0.068562, 0.104303, -0.03992, -0.06647, 0.244949, -0.050449, -0.168282, -0.122429, -0.010351, -0.096119, 0.07843, -0.168532, 0.007131, -0.002977, -0.085697, -0.167726, -0.159701, 0.108064, 0.224102, -0.067273, -0.020824, -0.138685, 0.238487, 0.369265, -0.021578, -0.000728, 0.039287, 0.11233, -0.100892, 0.054887, -0.221553, -0.244611, -0.125355, -0.157686, -0.2328, 0.124352, 0.072904, -0.156124, -0.150125, 0.321707, -0.123479, 0.377523, 0.09239, 0.017324, 0.000788, -0.131002, 0.002386, 0.124798, 0.032259, 0.050347, 0.287661, -0.141281, 0.006451, -0.055253, -0.052961, 0.108799, 0.057078, 0.048679, -0.033627, -0.074408, -0.057146, 0.180963, 0.01889, 0.136513, 0.094509, -0.202572, -0.053315, -0.109248, -0.132872, -0.077822, 0.003942, 0.125649, -0.018675, -0.04071, -0.361223, -0.220603, 0.218607, 0.085912, 0.328186, -0.159709, 0.05153, -0.268862, -0.156137, 0.00209, -0.015059, 0.00125, -0.040417, 0.159609, 0.014646, -0.053336, 0.043612, 0.065914, 0.178402, -0.048072, -0.290043, 0.184057, -0.44561, 0.150136, 0.002722, -0.113122, 0.100264, 0.150496, -0.043938, 0.106972, 0.046779, -0.036878, -0.113731, 0.053562, -0.078959, 0.037515, -0.038049, 0.254178, -0.142909, -0.198843, 0.105262]]},
 "free_energy": -595.71806431,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.586701434140338,
 "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", [5.22439, 9.41977, 11.01417, 8.06571, 6.99356, 3.67718, 10.15403, 11.41348, 4.64189, 12.49438, 4.63163, 9.1262, 8.63421, 6.5779, 12.90277, 13.14996, 6.81341, 5.73609, 11.76056, 10.1694, 12.00032, 5.27319, 6.41418, 10.75306, 7.9906, 9.43546, 3.6257, 13.92495, 9.43925, 7.58829, 8.52195, 12.41351, 6.01439, 11.9863, 11.54978, 6.01526, 4.30395, 8.95513, 8.95595, 6.37964, 11.29503, 11.03898, 6.6505, 12.26518, 8.96753, 8.2222, 4.73399, 11.71404, 10.42573, 5.13404, 4.66816, 5.15467, 9.17809, 5.7187, 6.91325, 10.57968, 10.37925, 5.39616, 8.7742, 8.9091, 6.04508, 9.23655, 10.30257, 6.83309, 10.50897, 7.79211, 7.19334, 11.3029, 9.00654, 5.97857, 9.46964, 7.71492, 8.70055, 11.53597, 8.98827, 7.62492, 10.58221, 6.56096, 8.29728, 10.37228, 10.97087, 6.74724, 7.98658, 10.79009, 6.06344, 8.87568, 6.3037, 5.7277, 7.27949, 8.80727, 9.28759, 11.09434, 10.19101, 7.26352, 9.6005, 5.70194, 6.16809, 6.72682, 10.16615, 7.88342, 8.00816, 11.5062, 6.33842, 7.40718, 6.39861, 8.69396, 9.22201, 11.59493, 8.8507, 11.44526, 6.44269, 9.45873, 11.58727, 7.82425, 6.0777, 6.66507, 7.64, 8.19325, 9.03778, 4.64895, 10.64179, 10.75795, 10.22556, 7.22497, 5.66251, 10.05614, 10.08251, 8.80473, 11.65273, 10.81492, 11.2361, 7.82979, 9.98797, 10.78936, 5.55083, 8.76007, 6.8182, 11.83066, 7.33552, 6.77763, 5.7026, 6.92132, 5.46052, 7.61096, 9.5912, 9.43132, 5.07253, 11.19771, 9.69838, 11.16978, 8.24643, 7.43208, 4.67824, 11.39283, 10.76204, 9.02184, 8.42857, 5.55582, 10.9936, 7.54668, 5.06478, 8.83726, 10.14921, 7.43143, 11.62678, 11.30283, 10.79603, 6.45652, 7.73427, 5.56204, 6.44142, 9.66794, 7.12207, 5.06947, 12.34215, 9.66282, 9.06634, 10.3806, 8.29851, 5.25498, 8.95362, 4.68409, 8.83276, 12.13872, 8.94294, 10.22859, 9.54617, 5.12046, 10.0683, 11.18436, 6.76272, 10.88686, 11.99085, 9.45981, 6.62776, 9.06999, 5.12092, 6.41479, 10.14516, 5.78149, 5.53672, 12.90389, 9.08082, 7.80039, 12.168, 7.51714, 10.19239, 10.83433, 5.60213, 10.12067, 11.62727, 8.34272, 5.96695, 9.69086, 4.73968, 7.64413, 12.31702, 7.0629, 6.42861, 12.473, 6.84589, 8.93297, 11.05027, 5.26529, 7.65658, 11.8024, 5.46948, 8.94238, 11.31051, 5.94516, 6.51074, 12.77646, 7.54141, 7.80546]]},
 "stress": {"__ndarray__": [[6], "float64", [0.0001478176606282932, 0.0012343458107711767, 0.0006816539361650883, 1.3631455930929033e-05, -2.8985568380601852e-05, 6.708998159411915e-05]]},
 "unique_id": "ed81fad1a8d8f715e76337553db3ba0c",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}