{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [16.422091722, -0.501716905, 0.198775227, -0.502126402, 16.952524211, -0.142528401, 0.200101563, -0.142879922, 16.567913429]]},
 "ctime": 20.60264932549068,
 "energy": -595.0939454,
 "forces": {"__ndarray__": [[78, 3], "float64", [0.022923, 0.083317, 0.192789, -0.041792, -0.022429, -0.069451, 0.095441, -0.06015, 0.09873, -0.148174, 0.081392, 0.112827, -0.060535, 0.009194, -0.095804, 0.100206, -0.079056, 0.084194, -0.171833, -0.037065, -0.089418, -0.191742, -0.02507, 0.005666, 0.22931, -0.282318, 0.075124, 0.065605, 0.113894, -0.025992, -0.033744, 0.15082, -0.08916, -0.155984, 0.001723, 0.080291, 0.171924, 0.018871, -0.041323, -0.079539, 0.101283, -0.046658, 0.038536, 0.004633, -0.010261, 0.147884, 0.005973, 0.124242, -0.138623, -0.020259, 0.088495, -0.0619, 0.054418, -0.013926, 0.003774, 0.049194, 0.016465, -0.162212, 0.133698, 0.107184, -0.126678, -0.217708, -0.044144, 0.102241, -0.152081, -0.198843, 0.239755, 0.108879, 0.24711, -0.135976, 0.090544, 0.098679, 0.087022, -0.034127, -0.269489, -0.340986, 0.06018, -0.106144, 0.148792, 0.14166, -0.049999, -0.291852, -0.194933, -0.250933, 0.085785, 0.178447, 0.069331, -0.057757, 0.011957, 0.256071, -0.065309, 0.012536, -0.121195, 0.300769, 0.11596, 0.030393, 0.24312, -0.134492, -0.158482, 0.166963, 0.123978, 0.145407, 0.189731, 0.076291, -0.038566, 0.175584, -0.214317, -0.261649, 0.579975, 0.116206, 0.221475, -0.172591, -0.14288, 0.164019, -0.041957, 0.019759, -0.029674, -0.241831, 0.19526, 0.24774, 0.013433, -0.133254, 0.002551, -0.292501, 0.141655, -0.19547, -0.055014, 0.159528, -0.376193, -0.157889, -0.156823, -0.427284, -0.007378, 0.109643, 0.171236, -0.052431, 0.021472, -0.061896, 0.211145, -0.239556, -0.356678, 0.183171, 0.085153, -0.098232, 0.126025, -0.297531, 0.20372, 0.208197, -0.095818, -0.038762, -0.168341, -0.241754, 0.035761, -0.048274, 0.059587, 0.144067, 0.108188, -0.16917, 0.352865, 0.246243, 0.02327, 0.10273, -0.104396, 0.012197, 0.119337, -0.069403, 0.002721, -0.078441, -0.01426, 0.037921, -0.089266, 0.022616, 0.363099, 0.100361, -0.049141, -0.345485, 0.247723, -0.166638, 0.046846, 0.229644, 0.037265, 0.23433, -0.10913, -0.138586, 0.114848, -0.162493, 0.066442, 0.23701, -0.05999, -0.006069, 0.0041, 0.254681, -0.000809, -0.145995, -0.166913, 0.035798, -0.004056, 0.125477, -0.124684, -0.090273, 0.033351, 0.094103, -0.136043, -0.117059, 0.027995, 0.30592, -0.010614, -0.102843, -0.060961, 0.139346, 0.073264, -0.002826, -0.009867, 0.153592, -0.046518, -0.218764, -0.105472, -0.060087, -0.121809, -0.171922, 0.084299, 0.232261, -0.012083, -0.07481, -0.022948, -0.155933, -0.142864, -0.166379, 0.051641, -0.089809, -0.05017, -0.129377, 0.046849, -0.011878]]},
 "free_energy": -595.16592094,
 "key_value_pairs": {"perms_num": 1},
 "mtime": 25.644205589392648,
 "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", [10.58179, 12.33533, 7.45177, 6.92753, 8.92275, 3.56505, 10.14858, 8.0397, 3.80467, 7.29069, 9.93995, 12.89804, 8.92955, 9.94258, 3.7643, 8.59303, 6.39335, 3.8589, 5.8171, 12.47196, 9.13556, 4.87014, 11.77796, 7.22682, 8.24193, 4.06798, 11.14955, 7.50109, 3.17472, 9.16022, 5.4139, 10.16094, 4.63169, 4.81053, 4.56319, 7.22742, 10.43905, 3.93121, 7.71314, 5.40451, 4.00868, 9.33251, 7.33844, 6.57154, 12.91698, 9.3505, 9.09044, 13.02898, 4.2049, 7.22488, 5.53951, 12.84037, 7.13169, 7.7542, 6.12022, 10.54709, 10.03481, 4.76876, 8.9547, 8.76274, 5.28344, 9.41606, 9.98263, 5.63096, 11.03223, 7.49958, 6.26498, 11.50229, 8.8576, 5.03459, 9.63185, 7.54111, 7.76896, 11.69347, 8.86219, 6.60192, 10.81987, 6.34394, 7.26581, 10.52492, 10.82853, 5.6399, 8.24402, 10.79286, 5.23121, 8.93024, 6.39009, 4.72682, 7.49213, 8.77565, 8.31278, 11.2182, 10.13493, 6.07972, 9.73106, 5.40011, 5.22563, 7.06771, 10.05549, 6.69882, 8.24001, 11.64519, 4.9895, 7.45846, 6.28676, 7.51796, 9.5013, 11.91522, 7.90758, 11.12581, 6.47726, 8.50551, 11.68294, 7.72069, 4.82717, 6.74553, 7.63162, 7.19392, 8.90674, 4.63605, 9.64335, 10.7921, 10.2153, 6.05461, 5.90488, 10.09194, 9.02125, 8.96778, 11.98505, 10.00891, 11.43172, 7.73779, 8.96598, 10.37768, 5.81681, 7.49078, 6.9659, 11.886, 6.29994, 6.85073, 5.85211, 5.47645, 5.352, 7.61834, 8.6984, 9.42004, 4.70351, 9.98059, 9.63649, 11.02499, 7.25903, 7.49441, 5.11555, 10.46621, 10.80938, 9.03293, 7.1656, 5.888, 10.86586, 6.0471, 4.84285, 9.00587, 8.9048, 7.4813, 11.69084, 10.11044, 10.42466, 6.57878, 6.5468, 5.6699, 6.6027, 8.61016, 6.8706, 4.85836, 11.26132, 9.65788, 9.05952, 9.62062, 8.10926, 4.76658, 7.55404, 4.27475, 9.05659, 10.9504, 8.92134, 10.31662, 8.177, 4.86789, 10.39921, 9.80936, 6.80331, 10.95123, 10.95462, 9.27855, 6.67029, 7.87778, 5.24824, 6.72598, 8.92696, 5.88119, 5.93504, 11.56047, 8.91864, 7.88491, 10.90111, 7.49212, 10.25714, 9.48703, 5.59255, 10.20724, 10.61252, 8.09933, 5.90534, 8.38735, 4.65823, 7.87128, 10.96119, 6.97551, 6.64464, 11.18439, 6.76319, 9.11183, 9.9015, 4.88888, 7.84973, 10.29267, 5.60758, 9.09674, 10.09874, 5.82761, 6.64699, 11.76871, 7.39367, 7.87897]]},
 "stress": {"__ndarray__": [[6], "float64", [0.00025535886286726176, 0.0005237812043349971, 0.0007499797365661323, 2.158938006643019e-05, -0.00013142121615459788, 0.00046521712420683457]]},
 "unique_id": "9b97278210bacc364028ccc5caa243d8",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}