{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.676784165, 0.0, 0.0, 0.0, 13.500894806, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505695487635, "energy": -87.96271062, "forces": {"__ndarray__": [[24, 3], "float64", [-0.032837, 0.0075, 0.0, 0.032837, 0.0075, -0.0, -0.032837, 0.0075, 0.0, 0.032837, 0.0075, -0.0, -0.014664, -0.014872, -0.0, 0.014664, -0.014872, 0.0, -0.014664, -0.014872, 0.0, 0.014664, -0.014872, -0.0, 0.01102, 0.005387, -0.0, -0.01102, 0.005387, 0.0, 0.01102, 0.005387, 0.0, -0.01102, 0.005387, -0.0, -0.03219, 0.024072, 0.0, 0.03219, 0.024072, -0.0, -0.03219, 0.024072, 0.0, 0.03219, 0.024072, -0.0, -0.001646, -0.006916, -0.0, 0.001646, -0.006916, 0.0, -0.001646, -0.006916, -0.0, 0.001646, -0.006916, 0.0, -0.034609, -0.015171, 0.0, 0.034609, -0.015171, -0.0, -0.034609, -0.015171, 0.0, 0.034609, -0.015171, -0.0]]}, "free_energy": -88.06450101, "key_value_pairs": {"E": 0.27501572416666686, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.143646678284806, "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", [9.79677, 11.91677, 10.0, 0.88002, 5.16632, 10.0, 4.45838, 11.91677, 10.0, 6.21841, 5.16632, 10.0, 4.44622, 7.86403, 10.0, 6.23056, 1.11358, 10.0, 9.78462, 7.86403, 10.0, 0.89217, 1.11358, 10.0, 9.05013, 5.60902, 10.0, 1.62666, 12.35946, 10.0, 3.71174, 5.60902, 10.0, 6.96505, 12.35946, 10.0, 10.23214, 3.12888, 10.0, 0.44465, 9.87932, 10.0, 4.89374, 3.12888, 10.0, 5.78304, 9.87932, 10.0, 9.03994, 0.66215, 10.0, 1.63684, 7.4126, 10.0, 3.70155, 0.66215, 10.0, 6.97524, 7.4126, 10.0, 8.40959, 9.89719, 10.0, 2.26719, 3.14674, 10.0, 3.0712, 9.89719, 10.0, 7.60559, 3.14674, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [0.00011918161675874081, -2.5153281777309532e-05, 0.0005137698236970805, -0.0, -0.0, -0.0]]}, "unique_id": "8fcdd442c282a6e07dd010d71e9bede0", "user": "yangxb"}, "ids": [1], "nextid": 2}