{"1": {
 "calculator": "vasp",
 "calculator_parameters": {},
 "cell": {"__ndarray__": [[3, 3], "float64", [11.503420451, -0.0, 0.0, 0.0, 7.462331302, 0.0, 0.0, 0.0, 20.0]]},
 "ctime": 21.3255074187654,
 "energy": -50.02578828,
 "forces": {"__ndarray__": [[14, 3], "float64", [-0.005476, -0.000249, 0.0, 0.005476, 0.000249, -0.0, -0.005476, 0.000249, 0.0, 0.005476, -0.000249, 0.0, 0.004089, 0.000305, -0.0, -0.004089, -0.000305, -0.0, 0.004089, -0.000305, 0.0, -0.004089, 0.000305, -0.0, 0.003694, -0.003826, -0.0, -0.003694, 0.003826, -0.0, 0.003694, 0.003826, 0.0, -0.003694, -0.003826, 0.0, -0.0, -0.0, -0.0, -0.0, -0.0, -0.0]]},
 "free_energy": -50.09324916,
 "key_value_pairs": {"E": 0.2608672657142857, "Au_rate": 0.7142857142857143, "Si_rate": 0.2857142857142857},
 "mtime": 25.644205141176833,
 "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", [3.37847, 0.00063, 10.0, 8.12495, -0.00063, 10.0, 9.13018, 3.73054, 10.0, 2.37324, 3.7318, 10.0, 7.16334, 5.1143, 10.0, 4.34008, 2.34803, 10.0, 1.41163, 6.07919, 10.0, 10.09179, 1.38314, 10.0, 4.33662, 5.11704, 10.0, 7.1668, 2.34529, 10.0, 10.08833, 6.07646, 10.0, 1.41509, 1.38587, 10.0, 5.75171, -0.0, 10.0, 0.0, 3.73117, 10.0]]},
 "stress": {"__ndarray__": [[6], "float64", [2.578367419902374e-05, -6.116678943365592e-07, 0.0004765953953433198, -0.0, -0.0, -0.0]]},
 "unique_id": "cde20f67b9dee8ae144473934589fb42",
 "user": "yangxb"},
"ids": [1],
"nextid": 2}