{"1": { "calculator": "gpaw", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [6.242325291217745, -0.004021621962719299, 0.0, -3.124645472666128, 5.409873996962244, 0.0, -8.046090579097271e-17, 0.0, 33.19]]}, "__ase_objtype__": "cell"}, "ctime": 24.891169244614296, "dipole": {"__ndarray__": [[3], "float64", [15.6811605007749, -8.220658671617617, 1.8332001082760814e-13]]}, "energy": -83.23485058440912, "forces": {"__ndarray__": [[12, 3], "float64", [-0.0025960382753660656, 0.0020822385945679068, 0.0, -0.007710837179646672, -0.00286798052492617, 0.0, -0.0025960275801949107, 0.0020822199014476493, 0.0, -0.007710821692666257, -0.0028679715418563068, 0.0, 0.004648092892128248, 0.0013959395380029433, 0.003312852811553801, 0.0005458644453807063, -0.0009792969649489117, -0.0070580740573104725, 0.004648068835194658, 0.0013959257636668456, 0.003312859689488485, 0.0005458517035209802, -0.0009792749831839345, -0.007058073982501926, 0.004648092892128248, 0.0013959395380029433, -0.003312852811553801, 0.0005458644453807063, -0.0009792969649489117, 0.0070580740573104725, 0.004648068835194658, 0.0013959257636668456, -0.003312859689488485, 0.0005458517035209802, -0.0009792749831839345, 0.007058073982501926]]}, "free_energy": -83.23485483923398, "initial_magmoms": {"__ndarray__": [[12], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[12], "float64", [0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.891169244614296, "numbers": {"__ndarray__": [[12], "int64", [42, 24, 42, 24, 16, 16, 16, 16, 16, 16, 16, 16]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[12, 3], "float64", [-0.010089303499696545, 5.404033756313848, 16.595, 3.124884300036331, 5.410001742807996, 16.595, 1.5522334333487888, 2.6990967569694106, 16.595, 4.687207038012026, 2.705064745261248, 16.595, 1.510025911356163, 0.8714685497670521, 18.141313828001273, 4.730844739581127, 0.9269703837080815, 18.086196273238414, -0.052296820910787384, 3.5764055505758514, 18.14131382784973, 3.16852200499409, 3.6319073792002112, 18.086196273230872, 1.510025911356163, 0.8714685497670521, 15.048686171998733, 4.730844739581127, 0.9269703837080815, 15.103803726761573, -0.052296820910787425, 3.5764055505758514, 15.048686172150276, 3.16852200499409, 3.6319073792002112, 15.103803726769138]]}, "stress": {"__ndarray__": [[6], "float64", [8.813238488089537e-06, -4.8917976350558743e-05, 0.00012439684773287964, -3.46068911770182e-23, 2.1365506233747606e-23, -1.4275289433645546e-05]]}, "unique_id": "e8d96460d589cc1398e8a03d87d86a3f", "user": "cmr"}, "ids": [1], "nextid": 2}