{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [9.280651786, 0.0, 0.0, -0.0, 9.278865358, 0.0, 0.0, 0.0, 20.0]]}, "ctime": 21.325507639131693, "energy": -50.36613672, "forces": {"__ndarray__": [[14, 3], "float64", [-0.00284, 0.004966, -0.0, 0.00284, -0.004966, 0.0, 0.00284, 0.004966, 0.0, -0.00284, -0.004966, -0.0, 0.007133, 0.007868, 0.0, -0.007133, -0.007868, 0.0, -0.007133, 0.007868, -0.0, 0.007133, -0.007868, 0.0, 0.001848, -0.007635, -0.0, -0.001848, 0.007635, -0.0, -0.001848, -0.007635, 0.0, 0.001848, 0.007635, 0.0, 0.0, -0.0, -0.0, 0.0, -0.0, -0.0]]}, "free_energy": -50.41636357, "key_value_pairs": {"E": 0.23655666285714286, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857}, "mtime": 25.170810067650066, "numbers": {"__ndarray__": [[14], "int32", [14, 14, 14, 14, 79, 79, 79, 79, 79, 79, 79, 79, 79, 79]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[14, 3], "float64", [6.37229, 1.73145, 10.0, 2.90836, 7.54742, 10.0, 7.54869, 6.37088, 10.0, 1.73196, 2.90799, 10.0, 1.87547, 0.50965, 10.0, 7.40518, 8.76922, 10.0, 2.76486, 5.14908, 10.0, 6.5158, 4.12978, 10.0, 4.12918, 2.7615, 10.0, 5.15147, 6.51737, 10.0, 0.51115, 7.40093, 10.0, 8.76951, 1.87794, 10.0, -0.0, 4.63943, 10.0, 4.64033, 0.0, 10.0]]}, "stress": {"__ndarray__": [[6], "float64", [5.4151333176163156e-05, 4.007048858817052e-06, 0.0005165909858219796, -0.0, -0.0, 0.0]]}, "unique_id": "f822397f130b41bb090d7cce07c3c4c6", "user": "yangxb"}, "ids": [1], "nextid": 2}