{"1": { "calculator": "unknown", "calculator_parameters": {}, "cell": {"array": {"__ndarray__": [[3, 3], "float64", [5.152414132616684, -2.974824127515296, 0.0, 5.152357230025006, 2.9747255693355523, 0.0, 2.555450793586775e-16, -1.1751739477261828e-21, 25.1874341956867]]}, "__ase_objtype__": "cell"}, "ctime": 24.89654050303772, "dipole": {"__ndarray__": [[3], "float64", [8.285783083566647, 0.062349680821808126, 1.9141669709451055e-07]]}, "energy": -141.98276966076577, "forces": {"__ndarray__": [[20, 3], "float64", [-0.00060443, 0.0005715, 0.00397954, 9.197e-05, -0.0007669, -0.00119041, 0.00028524, -0.00739141, -0.0042091, -0.00013524, 0.00025821, -0.0041125, -0.00035936, -7.172e-05, 0.00121472, -0.00654383, -0.00373867, 0.00393908, -0.00026216, -0.00116742, 0.00436164, 0.00027532, 0.00057817, -0.00085341, -0.00614037, 0.00378582, -0.00420183, 0.00035073, -0.00034277, -0.00331675, -0.00034734, -0.00046003, 0.00167855, 0.00664975, -0.00418182, 0.00399118, -0.00011246, 0.0005611, 0.00416557, 0.0010759, 0.00012997, -0.00186194, 0.00648802, 0.0038902, -0.00361729, 0.00064272, 6.54e-06, -0.00486394, -2.076e-05, 0.00034612, 0.00120283, -0.00030884, 0.00784223, 0.00387007, -0.00032637, 0.00046659, -0.00038919, -0.0006988, -0.00031565, 0.00026397]]}, "free_energy": -142.01221277608389, "initial_magmoms": {"__ndarray__": [[20], "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, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "magmom": 0.0, "magmoms": {"__ndarray__": [[20], "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, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0]]}, "mtime": 24.89654050303772, "numbers": {"__ndarray__": [[20], "int64", [41, 34, 34, 41, 34, 34, 41, 34, 34, 41, 34, 34, 41, 34, 34, 41, 34, 34, 41, 41]]}, "pbc": {"__ndarray__": [[3], "bool", [true, true, false]]}, "positions": {"__ndarray__": [[20, 3], "float64", [-3.081e-05, -0.00025565, 9.19091061, 1.71742803, 1.06508775, 10.90726729, 1.7173533, 0.96579949, 7.48795709, 6.913e-05, -0.00020619, 15.99657711, 5.21623098, -0.95502652, 14.28015609, 5.13026643, -1.00457948, 17.69946019, 3.43486512, -0.00020172, 9.19083901, 5.21612397, 0.95443427, 10.90717897, 5.1302101, 1.00407959, 7.48796465, 3.43492829, -0.00016579, 15.9964846, 3.37115717, 2.0198721, 14.2801383, 3.45699648, 1.97025314, 17.69945589, 6.86981848, -0.0003332, 9.14140878, 3.37102989, -2.02025191, 10.90734556, 3.45702479, -1.97070066, 7.48794964, 6.8698223, -0.00025293, 16.04603296, 1.71750549, -1.06550133, 14.28016403, 1.71755234, -0.96630091, 17.69948456, 4.942e-05, -0.00029664, 12.59370748, 3.43499002, -0.00015294, 12.59370066]]}, "stress": {"__ndarray__": [[6], "float64", [-6.448039532061488e-08, 7.4279830343424715e-06, -4.3074130215228324e-05, 2.944087390545401e-06, 2.1218811786064753e-06, -5.049871626106318e-06]]}, "tags": {"__ndarray__": [[20], "int32", [0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 1, 1, 0, 0, 0, 1, 1, 1, 2, 2]]}, "unique_id": "3117fac4896006155b8bbeb619422dad", "user": "cmr"}, "ids": [1], "nextid": 2}