{"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": 20.636176321099306,
 "energy": -586.79772273,
 "forces": {"__ndarray__": [[78, 3], "float64", [-0.008538, -0.00051, 0.001126, -0.002611, -0.004324, -0.00373, -0.001305, 0.004388, 0.001459, -0.007477, -0.000172, 0.003569, -0.005547, 3.8e-05, -0.005905, 0.000235, 0.007002, -0.000856, -0.002938, 0.003954, -0.003362, -0.000649, -0.001587, 0.003863, -0.001298, -0.008381, 0.000815, 0.001298, 0.008381, -0.000815, 0.002938, -0.003954, 0.003362, 0.000649, 0.001587, -0.003863, -0.000235, -0.007002, 0.000856, 0.005547, -3.8e-05, 0.005905, 0.001305, -0.004388, -0.001459, 0.007477, 0.000172, -0.003569, 0.008538, 0.00051, -0.001126, 0.002611, 0.004324, 0.00373, -0.003654, 0.00305, -0.005863, -0.001447, -0.000664, -0.002308, 0.00306, -0.001046, 0.002081, -0.001955, 0.005126, -0.003868, 0.00125, 0.001694, -0.002281, 0.00196, -0.001471, 0.006419, -0.006278, 0.005501, 0.001405, 0.000975, -0.001254, -6.3e-05, -0.004686, 0.00059, 0.00473, 0.000158, -0.002658, 0.00517, 0.003414, -0.000554, -0.004101, -0.002084, 0.001889, -0.002217, 0.003283, 0.001175, 0.001755, 0.001465, -0.003867, -0.001345, 0.00404, -0.003657, -0.00238, -0.003113, 0.001415, 0.003703, -0.006543, 0.001597, -0.002114, -0.003779, -0.000341, 0.001115, -0.002316, -0.004661, -0.001779, 0.003501, 0.000409, -8.2e-05, 0.003759, 0.002291, 0.000231, 0.004363, 0.005065, -0.000967, 2.8e-05, 0.004427, 0.000157, -0.00065, -0.002063, -0.00574, 0.002344, 8e-06, 0.005657, -0.003488, -0.000108, 0.003226, 0.001125, 0.00217, -0.001833, -0.001779, -0.003807, 0.000836, 0.002527, -0.001054, -0.005482, -0.003319, 0.002577, 0.005404, 0.001779, 0.003807, -0.000836, -0.002527, 0.001054, 0.005482, -0.002344, -8e-06, -0.005657, 0.003319, -0.002577, -0.005404, -0.001125, -0.00217, 0.001833, 0.003488, 0.000108, -0.003226, -0.004363, -0.005065, 0.000967, 0.00065, 0.002063, 0.00574, -2.8e-05, -0.004427, -0.000157, 0.003779, 0.000341, -0.001115, -0.003759, -0.002291, -0.000231, 0.003113, -0.001415, -0.003703, -0.003501, -0.000409, 8.2e-05, 0.006543, -0.001597, 0.002114, 0.002316, 0.004661, 0.001779, -0.001465, 0.003867, 0.001345, -0.00404, 0.003657, 0.00238, -0.003283, -0.001175, -0.001755, 0.004686, -0.00059, -0.00473, 0.002084, -0.001889, 0.002217, -0.003414, 0.000554, 0.004101, -0.000975, 0.001254, 6.3e-05, -0.000158, 0.002658, -0.00517, 0.006278, -0.005501, -0.001405, -0.00306, 0.001046, -0.002081, -0.00196, 0.001471, -0.006419, -0.00125, -0.001694, 0.002281, 0.001955, -0.005126, 0.003868, 0.003654, -0.00305, 0.005863, 0.001447, 0.000664, 0.002308]]},
 "free_energy": -587.07356055,
 "key_value_pairs": {"perms_num": 2},
 "mtime": 25.03531015543501,
 "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", [7.31161, 13.26258, 12.49232, 5.25938, 10.95939, 10.75884, 7.83456, 13.63252, 7.53148, 6.66796, 9.92407, 13.62712, 5.84674, 10.92466, 7.51776, 10.42218, 14.83747, 9.17392, 8.71217, 10.97415, 5.36766, 7.27383, 6.86275, 12.5827, 6.71452, 6.46904, 9.11222, 13.28548, 13.53096, 10.88778, 11.28783, 9.02585, 14.63234, 12.72617, 13.13725, 7.4173, 9.57782, 5.16253, 10.82608, 14.15326, 9.07534, 12.48224, 12.16544, 6.36748, 12.46852, 13.33204, 10.07593, 6.37288, 12.68839, 6.73742, 7.50768, 14.74062, 9.04061, 9.24116, 7.89706, 12.46533, 11.97165, 6.35776, 10.79023, 10.65653, 7.11339, 11.20057, 11.89899, 7.67942, 12.52717, 9.40037, 8.30352, 13.00954, 10.59284, 6.84472, 11.45765, 9.39857, 9.59965, 13.45202, 10.60648, 8.30965, 12.75226, 8.02619, 9.26142, 12.32008, 12.6332, 7.38483, 9.99716, 12.77531, 6.82151, 10.76362, 8.03608, 6.65009, 9.29077, 10.61446, 10.23717, 13.0092, 11.84201, 7.9674, 11.45572, 7.33069, 7.18481, 8.85283, 11.78198, 8.8, 9.98042, 13.31742, 7.05621, 9.27478, 8.19908, 9.64065, 11.17292, 13.31698, 9.78874, 12.99832, 8.15707, 10.39805, 13.73586, 9.34924, 6.8491, 8.60565, 9.37582, 8.9318, 10.7496, 6.44033, 11.57125, 12.62655, 11.86569, 7.88244, 7.5262, 11.92314, 11.01174, 10.75868, 13.35514, 11.78504, 13.13254, 9.39421, 10.72397, 12.28692, 7.47881, 9.6027, 8.87081, 13.29362, 8.06035, 8.55918, 7.41923, 7.51145, 7.21875, 9.34036, 10.3973, 11.12919, 6.70638, 11.93965, 11.44082, 12.58077, 8.98826, 9.24132, 6.64486, 12.48855, 12.78125, 10.65964, 9.27603, 7.71308, 12.52119, 8.21496, 6.86746, 10.60579, 11.0682, 9.2504, 13.55967, 12.11756, 12.4738, 8.07686, 8.42875, 7.37345, 8.13431, 10.35935, 8.82708, 6.68302, 13.1509, 11.39435, 10.62418, 11.2, 10.01958, 6.68258, 9.60195, 6.26414, 10.65076, 12.94379, 10.72522, 11.80092, 10.21126, 7.00168, 11.84293, 12.0326, 8.54428, 12.66931, 12.81519, 11.14717, 8.21802, 9.76283, 6.9908, 8.15799, 10.73858, 7.67992, 7.3668, 13.34991, 10.70923, 9.38554, 13.17849, 9.23638, 11.96392, 11.69035, 7.24774, 11.97381, 12.61517, 10.00284, 7.22469, 10.40035, 6.54798, 9.39352, 12.88661, 8.79943, 8.10101, 13.15528, 8.54235, 10.60143, 11.69648, 6.99046, 9.40716, 12.32058, 7.47283, 10.59963, 12.10294, 7.53467, 8.02835, 13.64224, 9.20977, 9.34347]]},
 "stress": {"__ndarray__": [[6], "float64", [5.0150525826471984e-05, 6.332011008208566e-05, 5.3252555862035957e-05, 4.038256404446468e-06, -3.875977167173503e-06, -3.22498776534388e-05]]},
 "unique_id": "a3b2e529cf4b5dde00aceae04751c01b",
 "user": "mse-gucc"},
"ids": [1],
"nextid": 2}