{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [10.661273316, -0.0, 0.0, 0.0, 13.515091779, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507990375833, "energy": -87.94704162, "forces": {"__ndarray__": [[24, 3], "float64", [-0.000631, -0.0046, -0.0, -0.000631, 0.0046, -0.0, 0.000631, 0.0046, -0.0, 0.000631, -0.0046, -0.0, 0.000631, 0.0046, -0.0, 0.000631, -0.0046, -0.0, -0.000631, -0.0046, -0.0, -0.000631, 0.0046, -0.0, 0.007884, 0.001106, -0.0, 0.007884, -0.001106, -0.0, -0.007884, -0.001106, 0.0, -0.007884, 0.001106, -0.0, -0.007884, -0.001106, 0.0, -0.007884, 0.001106, 0.0, 0.007884, 0.001106, -0.0, 0.007884, -0.001106, -0.0, 0.002336, -0.0, -0.0, -0.002336, -0.0, -0.0, -0.002336, -0.0, 0.0, 0.002336, -0.0, -0.0, 0.002865, -0.0, 0.0, -0.002865, -0.0, 0.0, -0.002865, -0.0, -0.0, 0.002865, -0.0, 0.0]]}, "free_energy": -88.05012448, "key_value_pairs": {"E": 0.27566859916666697, "Au_rate": 0.6666666666666666, "Si_rate": 0.3333333333333333}, "mtime": 25.246082370872024, "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", [9.76663, 8.11046, 10.0, 9.76663, 12.16218, 10.0, 6.22528, 5.40463, 10.0, 6.22528, 1.35291, 10.0, 0.89465, 5.40463, 10.0, 0.89465, 1.35291, 10.0, 4.43599, 8.11046, 10.0, 4.43599, 12.16218, 10.0, 1.62276, 7.65926, 10.0, 1.62276, 12.61337, 10.0, 3.70788, 5.85583, 10.0, 3.70788, 0.90172, 10.0, 9.03852, 5.85583, 10.0, 9.03852, 0.90172, 10.0, 6.95339, 7.65926, 10.0, 6.95339, 12.61337, 10.0, 4.89382, 3.37877, 10.0, 0.43682, 10.13632, 10.0, 5.76746, 10.13632, 10.0, 10.22445, 3.37877, 10.0, 7.60429, 3.37877, 10.0, 8.38762, 10.13632, 10.0, 3.05698, 10.13632, 10.0, 2.27366, 3.37877, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [-4.3053929950342714e-05, 2.170172723069609e-05, 0.0005407955582121549, -0.0, -0.0, 0.0]]}, "unique_id": "22f5b2c2167060a7cf19b76c179e587f", "user": "yangxb"}, "ids": [1], "nextid": 2}