{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.237353487, -0.0, 0.0, -0.0, 14.141198277, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550788224567, "energy": -87.43339087, "forces": {"__ndarray__": [[24, 3], "float64", [0.007139, -0.003949, -0.0, -0.007139, 0.003949, 0.0, 0.007139, 0.003949, 0.0, -0.007139, -0.003949, 0.0, 0.009678, -0.011963, -0.0, -0.009678, 0.011963, 0.0, 0.009678, 0.011963, -0.0, -0.009678, -0.011963, 0.0, 0.002104, 0.000307, -0.0, -0.002104, -0.000307, -0.0, 0.002104, -0.000307, 0.0, -0.002104, 0.000307, 0.0, 0.005797, 0.002601, -0.0, -0.005797, -0.002601, 0.0, 0.005797, -0.002601, -0.0, -0.005797, 0.002601, -0.0, -0.004836, -0.0008, 0.0, 0.004836, 0.0008, 0.0, -0.004836, 0.0008, -0.0, 0.004836, -0.0008, -0.0, -0.000226, -0.0008, 0.0, 0.000226, 0.0008, 0.0, -0.000226, 0.0008, 0.0, 0.000226, -0.0008, 0.0]]}, "free_energy": -87.54877506, "key_value_pairs": {"E": 0.29707071375000016, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.157516416968928, "numbers": {"__ndarray__": [[24], "int32", [14, 14, 14, 14, 14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[24, 3], "float64", [3.25679, 6.11029, 10.0, 6.98056, 8.03091, 10.0, 8.37547, 0.96031, 10.0, 1.86188, 13.18089, 10.0, 6.86545, 3.81727, 10.0, 3.3719, 10.32392, 10.0, 1.74678, 3.25332, 10.0, 8.49058, 10.88787, 10.0, 9.20001, 3.38379, 10.0, 1.03734, 10.75741, 10.0, 4.08134, 3.68681, 10.0, 6.15602, 10.45439, 10.0, 5.70341, 5.86066, 10.0, 4.53394, 8.28053, 10.0, 0.58473, 1.20993, 10.0, 9.65262, 12.93126, 10.0, 9.35504, 8.64027, 10.0, 0.88231, 5.50093, 10.0, 4.23635, 12.57153, 10.0, 6.00099, 1.56967, 10.0, 6.91043, 13.09496, 10.0, 3.32692, 1.04624, 10.0, 1.79175, 8.11684, 10.0, 8.4456, 6.02436, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-3.003414191375024e-05, -7.70576716681547e-05, 0.0005861401220116968, -0.0, -0.0, -0.0]]}, "unique_id": "3c58c5240599ac2aae2ff8c2ca12b4f9", "user": "yangxb"}, "ids": [1], "nextid": 2}