{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [5.341035335, 0.0, 0.0, 0.0, 13.517269509, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.32550703610022, "energy": -43.70913374, "forces": {"__ndarray__": [[12, 3], "float64", [-0.056461, 0.01454, -0.0, 0.056461, -0.01454, -0.0, 0.056461, 0.01454, -0.0, -0.056461, -0.01454, 0.0, 0.132231, 0.047624, -0.0, -0.132231, -0.047624, 0.0, -0.132231, 0.047624, 0.0, 0.132231, -0.047624, -0.0, 0.052338, 0.04685, -0.0, -0.052338, -0.04685, -0.0, -0.052338, 0.04685, 0.0, 0.052338, -0.04685, 0.0]]}, "free_energy": -43.76977035, "key_value_pairs": {"E": 0.29770085500000015, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.14353486228008, "numbers": {"__ndarray__": [[12], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[12, 3], "float64", [3.52906, 12.21538, 10.0, 1.81197, 1.30189, 10.0, 4.48249, 5.45675, 10.0, 0.85855, 8.06052, 10.0, 3.13024, 3.46241, 10.0, 2.2108, 10.05486, 10.0, 4.88131, 10.22104, 10.0, 0.45972, 3.29623, 10.0, 1.03862, 12.58429, 10.0, 4.30241, 0.93298, 10.0, 1.63189, 5.82565, 10.0, 3.70914, 7.69162, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [6.659690237317437e-06, -5.892608765746384e-05, 0.0005235877175520947, -0.0, -0.0, -0.0]]}, "unique_id": "ff0d067b24008b73066ace5ba7eafd61", "user": "yangxb"}, "ids": [1], "nextid": 2}