ASE database

ID Magnetic moment atom_E plane_index Dipole_val Charge PBC Maximum force ads_E Volume
51 -0.002 -1.888 100 0.133 0.000 TTT 0.004 -1.663 2654.442
52 -0.000 -0.945 100 1.591 0.000 TTT 0.009 -2.279 2654.442
53 -0.000 -0.243 100 2.287 0.000 TTT 0.008 -2.402 2654.442
54 0.000 -0.025 100 -0.102 0.000 TTT 0.005 -0.003 2654.442
55 0.000 -1.117 110 -0.181 0.000 TTT 0.010 -1.683 3649.858
56 0.000 0.002 110 -0.016 0.000 TTT 0.008 -0.005 3649.858
57 -0.000 -0.299 110 -1.996 0.000 TTT 0.010 -2.954 3649.858
58 0.000 -0.039 110 -0.158 0.000 TTT 0.007 -3.785 3649.858
59 0.000 -0.349 110 0.170 0.000 TTT 0.009 -5.089 3649.858
60 -0.000 -1.248 110 0.284 0.000 TTT 0.009 -4.383 3649.858
61 0.000 -3.124 110 0.438 0.000 TTT 0.007 -2.009 3649.858
62 -0.000 -1.533 110 0.578 0.000 TTT 0.008 -2.954 3649.858
63 -0.000 -0.424 110 1.101 0.000 TTT 0.010 -3.008 3649.858
64 0.000 -0.013 110 -0.007 0.000 TTT 0.008 -0.008 3649.858
65 0.000 -0.225 110 -3.683 0.000 TTT 0.006 -2.503 3649.858
66 -0.000 -0.004 110 -1.984 0.000 TTT 0.005 -2.706 3649.858
67 -0.000 -0.295 110 -0.572 0.000 TTT 0.005 -4.343 3649.858
68 0.000 -0.830 110 -0.022 0.000 TTT 0.007 -4.977 3649.858
69 -0.000 -1.888 110 0.189 0.000 TTT 0.009 -3.831 3649.858
70 0.000 -0.945 110 0.303 0.000 TTT 0.005 -3.509 3649.858
71 0.000 -0.243 110 1.191 0.000 TTT 0.010 -2.405 3649.858
72 0.000 -0.025 110 -0.072 0.000 TTT 0.007 -0.002 3649.858
73 0.000 -1.117 110 -0.028 0.000 TTT 0.009 -1.957 3649.858
74 -0.000 0.002 110 -0.021 0.000 TTT 0.010 -0.005 3649.858
75 0.000 -0.299 110 -2.222 0.000 TTT 0.010 -2.846 3649.858