{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.694256476, 0.0, 0.0, 0.0, 13.523631919, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325505693869456, "energy": -87.49334647, "forces": {"__ndarray__": [[24, 3], "float64", [0.021728, 0.089504, 0.0, -0.021728, 0.089504, -0.0, 0.021728, 0.089504, -0.0, -0.021728, 0.089504, 0.0, 0.066939, -0.185109, 0.0, -0.066939, -0.185109, 0.0, 0.066939, -0.185109, 0.0, -0.066939, -0.185109, 0.0, 0.096231, 0.070582, -0.0, -0.096231, 0.070582, -0.0, 0.096231, 0.070582, -0.0, -0.096231, 0.070582, 0.0, -0.02954, 0.003471, -0.0, 0.02954, 0.003471, 0.0, -0.02954, 0.003471, 0.0, 0.02954, 0.003471, -0.0, 0.101144, 0.096812, 0.0, -0.101144, 0.096812, -0.0, 0.101144, 0.096812, 0.0, -0.101144, 0.096812, -0.0, 0.286091, -0.075261, -0.0, -0.286091, -0.075261, -0.0, 0.286091, -0.075261, 0.0, -0.286091, -0.075261, -0.0]]}, "free_energy": -87.60761498, "key_value_pairs": {"E": 0.2945725637499998, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.14347957864763, "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", [5.88104, 12.13453, 10.0, 4.81321, 5.37272, 10.0, 0.53391, 12.13453, 10.0, 10.16034, 5.37272, 10.0, 3.21676, 7.9321, 10.0, 7.4775, 1.17028, 10.0, 8.56389, 7.9321, 10.0, 2.13037, 1.17028, 10.0, 4.59793, 10.14059, 10.0, 6.09633, 3.37877, 10.0, 9.94505, 10.14059, 10.0, 0.7492, 3.37877, 10.0, 5.0229, 0.8248, 10.0, 5.67135, 7.58661, 10.0, -0.32423, 0.8248, 10.0, 0.32423, 7.58661, 10.0, 2.97347, 12.46997, 10.0, 7.72079, 5.70814, 10.0, 8.3206, 12.46997, 10.0, 2.37366, 5.70814, 10.0, 8.75632, 3.15942, 10.0, 1.93794, 9.92123, 10.0, 3.40919, 3.15942, 10.0, 7.28507, 9.92123, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-0.00011718433383845817, 0.00044645514777442953, 0.0005404897242649866, -0.0, -0.0, -0.0]]}, "unique_id": "b6ce40490306ce5d5a9db6de155dd3e6", "user": "yangxb"}, "ids": [1], "nextid": 2}