{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [4.612367085633483, -2.7165819398663243e-06, 0.0, -8.5348515672405e-06, 12.898578042025322, 0.0, -4.142461254924166e-17, 1.0301029416265815e-23, 33.07712045607696]]}, "__ase_objtype__": "cell"}, "ctime": 24.891421215619378, "dipole": {"__ndarray__": [[3], "float64", [18.38612868350642, -33.00381968693127, 4.969772722476529e-05]]}, "energy": -27.48098535057485, "forces": {"__ndarray__": [[12, 3], "float64", [0.00620849, 7.872e-05, 0.00204238, -0.00658046, 0.00029981, 0.00232933, -0.00627624, 0.00292029, -0.00397215, 0.00657624, 0.00202162, -0.00231943, 0.00610001, 7.243e-05, -0.00215192, -0.00652658, -0.00023862, -0.0022963, -0.00612619, -0.00332482, 0.00478511, 0.00632214, -0.00239953, 0.00335952, 0.0033711, -0.00012114, -0.00031616, -0.00400948, -0.00030986, -0.00036633, 0.00058902, 0.00136637, -0.00184267, 0.00035212, -0.00036759, 0.00074842]]}, "free_energy": -27.508286340869027, "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": 24.891421215619378, "numbers": {"__ndarray__": [[12], "int64", [53, 53, 53, 53, 53, 53, 53, 53, 29, 29, 29, 29]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[12, 3], "float64", [-0.33092945, 4.0361623, 15.05923164, 3.21466968, 10.48544192, 15.05919743, 1.01655794, 7.2663356, 14.77262043, 1.86710712, 0.81711353, 14.77243071, -0.33092116, 0.24825243, 18.01791386, 3.21467365, 6.69755661, 18.01792793, 1.01654183, 9.91669194, 18.30442309, 1.86713197, 3.46733194, 18.30457808, 4.26683511, 8.59150662, 16.53860297, 3.22928926, 2.14223736, 16.53861073, 1.44177945, 11.8160373, 16.53878206, 1.44180282, 5.36688284, 16.53846035]]}, "stress": {"__ndarray__": [[6], "float64", [-4.379442904249095e-06, -2.373283618969833e-06, 0.0001459950576484405, 1.089447801797012e-05, 1.344591547195715e-07, -2.0469431953041045e-09]]}, "unique_id": "df4bf099acb25255dac6694518427c4c", "user": "cmr"}, "ids": [1], "nextid": 2}