{"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": 20.636164819620628,
 "energy": -619.22857672,
 "forces": {"__ndarray__": [[84, 3], "float64", [-0.001512, -0.000928, -0.002574, 0.001517, 0.002515, -0.001649, -0.000314, -0.000349, -0.001317, 0.002735, -0.001127, 0.001171, -0.002177, -0.000589, -0.001843, 0.00217, 0.002568, -0.003343, -0.001828, 0.006484, 0.000838, -0.001044, 0.002802, -0.003041, -0.00362, 0.000126, -0.003262, -0.001991, 0.003116, 0.00386, -0.000984, -0.001503, 0.00221, -0.004708, 0.000465, 0.004471, 0.001991, -0.003116, -0.00386, 0.000984, 0.001503, -0.00221, 0.001828, -0.006484, -0.000838, 0.004708, -0.000465, -0.004471, 0.00362, -0.000126, 0.003262, 0.001044, -0.002802, 0.003041, 0.002177, 0.000589, 0.001843, -0.00217, -0.002568, 0.003343, -0.002735, 0.001127, -0.001171, 0.000314, 0.000349, 0.001317, 0.001512, 0.000928, 0.002574, -0.001517, -0.002515, 0.001649, -0.003604, 0.001311, 0.002057, -0.001145, -0.00281, -0.002382, 0.001262, 0.002562, -0.005236, 0.002285, 0.002418, -0.004356, 0.003539, -0.002538, 0.001111, 0.004985, 0.001394, 0.000301, -0.001009, -0.001925, -0.002112, 0.005142, 0.003056, 0.000345, 0.000841, -0.003255, 0.00397, -0.002085, -0.002566, -0.004396, 0.007219, -0.000486, -0.005121, 0.001319, -0.000967, -0.00052, 0.002688, 0.001488, -0.001799, 0.000993, -0.002441, -0.001459, -0.003158, 0.004451, 0.000348, 0.00297, -0.002435, 0.002959, 0.002857, -6.2e-05, -0.00066, 0.000576, 0.002275, -0.001911, 5e-06, -0.000487, 0.000577, 0.004322, 0.002338, -0.002731, 0.001484, 0.002398, 0.001292, 0.001049, 0.004374, -0.000385, -0.001857, -0.003963, 0.007202, -0.006366, -0.001223, -0.003837, -0.005759, 0.004499, 0.00375, 8.7e-05, 0.00606, -0.00418, -0.005266, 0.007455, -0.000427, -0.003667, 0.004707, 0.004052, -0.002489, -0.004173, -0.002202, -0.000129, 0.002308, -0.002642, 0.003667, -0.004707, -0.004052, 0.002489, 0.004173, 0.002202, 0.005759, -0.004499, -0.00375, 0.000129, -0.002308, 0.002642, 0.005266, -0.007455, 0.000427, -8.7e-05, -0.00606, 0.00418, -0.001049, -0.004374, 0.000385, 0.006366, 0.001223, 0.003837, 0.001857, 0.003963, -0.007202, -0.000576, -0.002275, 0.001911, -0.001484, -0.002398, -0.001292, -0.00297, 0.002435, -0.002959, -0.004322, -0.002338, 0.002731, -0.002857, 6.2e-05, 0.00066, -5e-06, 0.000487, -0.000577, -0.000993, 0.002441, 0.001459, 0.003158, -0.004451, -0.000348, -0.002688, -0.001488, 0.001799, -0.000841, 0.003255, -0.00397, -0.001319, 0.000967, 0.00052, -0.007219, 0.000486, 0.005121, -0.005142, -0.003056, -0.000345, 0.002085, 0.002566, 0.004396, 0.001009, 0.001925, 0.002112, -0.001262, -0.002562, 0.005236, -0.004985, -0.001394, -0.000301, -0.003539, 0.002538, -0.001111, -0.002285, -0.002418, 0.004356, 0.003604, -0.001311, -0.002057, 0.001145, 0.00281, 0.002382]]},
 "free_energy": -619.22857672,
 "key_value_pairs": {"perms_num": 6},
 "mtime": 25.07478430765024,
 "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", [7.13394, 13.19611, 12.47218, 5.25037, 11.13834, 10.81683, 6.68561, 13.61175, 9.28623, 7.90843, 13.56394, 7.3177, 9.1293, 13.19159, 13.65109, 5.29378, 8.82195, 10.83839, 11.29622, 10.93616, 14.68888, 12.28671, 14.2758, 9.07757, 11.08118, 13.30484, 6.47238, 9.44041, 8.54102, 14.68398, 7.13032, 8.01206, 6.50916, 6.69562, 6.43447, 9.0577, 10.55959, 11.45898, 5.31602, 12.86968, 11.98794, 13.49084, 8.70378, 9.06384, 5.31112, 13.30438, 13.56553, 10.9423, 8.91882, 6.69516, 13.52762, 7.71329, 5.7242, 10.92243, 10.8707, 6.80841, 6.34891, 14.70622, 11.17805, 9.16161, 12.09157, 6.43606, 12.6823, 13.31439, 6.38825, 10.71377, 12.86606, 6.80389, 7.52782, 14.74963, 8.86166, 9.18317, 7.84219, 12.5005, 11.98223, 6.28783, 10.79438, 10.64077, 7.18978, 11.14987, 11.82045, 7.45838, 12.82238, 9.35851, 8.26991, 13.02718, 10.61419, 6.82351, 11.43424, 9.38406, 9.59405, 13.32821, 10.58701, 8.3184, 12.80835, 8.0101, 9.20909, 12.47833, 12.81253, 7.64239, 10.03837, 12.45638, 7.15111, 10.71413, 8.27954, 6.31141, 9.19531, 10.62942, 10.26317, 12.94849, 11.81707, 8.11382, 11.40721, 7.44491, 7.25399, 8.8218, 11.76763, 8.8531, 10.0333, 13.24472, 7.12575, 9.26987, 8.25822, 9.63214, 11.12987, 13.31227, 9.79253, 13.00867, 8.19007, 10.35781, 13.35983, 9.36104, 6.84885, 8.57291, 9.37694, 8.98437, 10.74913, 6.65514, 11.56953, 12.62239, 11.8518, 7.98281, 7.69138, 11.83736, 11.07562, 10.76204, 13.61666, 11.87825, 13.27911, 9.3303, 10.83465, 12.50841, 7.20286, 9.59852, 8.75583, 13.61021, 7.86574, 8.44247, 7.21512, 7.46509, 7.18504, 9.32826, 10.40148, 11.24417, 6.38979, 12.13426, 11.55753, 12.78488, 8.92438, 9.23796, 6.38334, 12.53491, 12.81496, 10.67174, 9.16535, 7.49159, 12.79714, 8.12175, 6.72089, 10.6697, 11.01563, 9.25087, 13.34486, 12.01719, 12.30862, 8.16264, 8.43047, 7.37761, 8.1482, 10.36786, 8.87013, 6.68773, 13.15115, 11.42709, 10.62306, 11.1469, 9.9667, 6.75528, 9.64219, 6.64017, 10.63896, 12.87425, 10.73013, 11.74178, 10.20747, 6.99133, 11.80993, 11.88618, 8.59279, 12.55509, 12.74601, 11.1782, 8.23237, 9.73683, 7.05151, 8.18293, 10.79091, 7.52167, 7.18747, 13.68859, 10.80469, 9.37058, 12.84889, 9.28587, 11.72046, 11.6816, 7.19165, 11.9899, 12.35761, 9.96163, 7.54362, 10.40595, 6.67179, 9.41299, 12.81022, 8.85013, 8.17955, 13.17649, 8.56576, 10.61594, 11.73009, 6.97282, 9.38581, 12.54162, 7.17762, 10.64149, 12.15781, 7.4995, 8.01777, 13.71217, 9.20562, 9.35923]]},
 "stress": {"__ndarray__": [[6], "float64", [6.361970252012805e-05, 8.779306736467392e-05, 0.00010772844751274504, 2.4217055408427044e-06, 4.46267902500653e-06, -1.2326980523619435e-05]]},
 "unique_id": "62e23357aa1a320829bc5bfd394eb4d8",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}