{"1": { "calculator": "vasp", "calculator_parameters": {}, "cell": {"__ndarray__": [[3, 3], "float64", [21.980757599, 0.0, 0.0, 0.0, 6.03877222, 0.033893497, 0.0, 0.514300172, 8.906219285]]}, "ctime": 20.020804918156653, "energy": -112.16884713, "forces": {"__ndarray__": [[18, 3], "float64", [0.0, -0.01469, -0.17574, 0.0, -0.168813, 0.16339, 0.0, -0.059867, -0.055036, 0.0, -0.080213, 0.001681, 0.0, -0.090352, 0.166459, 0.0, 0.091513, 0.198478, 0.0, 0.026442, -0.019171, 0.0, 0.010983, -0.029748, 0.0, -0.012777, -0.149793, 0.0, 0.017953, -0.054468, 0.0, -0.021176, -0.255286, 0.0, -0.134476, -0.258739, 0.0, 0.093081, 0.025486, 0.0, 0.061953, 0.146152, 0.0, 0.081469, 0.061659, 0.0, 0.219022, 0.134788, 0.0, -0.046235, 0.044465, 0.0, 0.026182, 0.055423]]}, "free_energy": -112.174005, "mtime": 25.07406777295216, "numbers": {"__ndarray__": [[18], "int32", [5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5, 5]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, true]]}, "positions": {"__ndarray__": [[18, 3], "float64", [10.99038, 0.95809, 7.31062, 10.99038, 5.52806, 1.69312, 10.99038, 6.29142, 4.49283, 10.99038, 4.47137, 0.46943, 10.99038, 3.93155, 2.03957, 10.99038, 4.70278, 4.91378, 10.99038, 5.38459, 7.72074, 10.99038, 3.52648, 3.61297, 10.99038, 4.2213, 6.5089, 10.99038, 2.36988, 2.41709, 10.99038, 3.12336, 5.29019, 10.99038, 3.81439, 8.16304, 10.99038, 1.07594, 1.17375, 10.99038, 1.82835, 4.06426, 10.99038, 2.52815, 6.9523, 10.99038, 0.69296, 2.76611, 10.99038, 1.41328, 5.64426, 10.99038, 2.14609, 8.53127]]}, "stress": {"__ndarray__": [[6], "float64", [-0.0001511319019741372, -0.0015090034198556694, 0.0015928081628889038, -0.001401892881746387, -0.0, -0.0]]}, "unique_id": "9ab259205c6151693b5ec20bd6c3f687", "user": "hecc"}, "ids": [1], "nextid": 2}