ASE database

distance Age ads_site atom_E str_E PBC Mass ads_E Dipole_val plane_index Maximum force
0.376 13M 3b -0.039 -222.247 TTT 17285.869 -3.681 -0.299 110 0.009
0.004 13M 3b -0.349 -224.037 TTT 17285.869 -5.161 0.021 110 0.006
-0.057 13M 3b -1.248 -224.356 TTT 17285.869 -4.581 0.079 110 0.007
1.019 13M 3b -3.124 -223.581 TTT 17285.869 -1.930 0.957 110 0.009
1.128 13M 3b -1.533 -223.229 TTT 17285.869 -3.169 1.357 110 0.010
1.287 13M 3b -0.424 -222.245 TTT 17285.869 -3.294 1.379 110 0.009
3.219 13M 3b -0.013 -218.548 TTT 17285.869 -0.009 -0.009 110 0.007
1.783 13M 3b -0.225 -221.145 TTT 17285.869 -2.393 -3.991 110 0.004
1.048 13M 3b -0.004 -220.986 TTT 17285.869 -2.455 -2.085 110 0.005
0.555 13M 3b -0.295 -222.861 TTT 17285.869 -4.039 -0.667 110 0.006
0.496 13M 3b -0.830 -223.955 TTT 17285.869 -4.598 -0.217 110 0.009
0.638 13M 3b -1.888 -223.843 TTT 17285.869 -3.429 -0.015 110 0.007
1.456 13M 3b -0.945 -222.907 TTT 17285.869 -3.435 0.997 110 0.009
1.702 13M 3b -0.243 -221.497 TTT 17285.869 -2.727 1.110 110 0.010
3.199 13M 3b -0.025 -218.552 TTT 17285.869 0.000 -0.110 110 0.006
1.011 13M 1b -1.117 -221.957 TTT 17285.869 -2.313 0.080 110 0.008
3.531 13M 1b 0.002 -218.530 TTT 17285.869 -0.005 -0.023 110 0.009
2.014 13M 1b -0.299 -221.258 TTT 17285.869 -2.432 -4.421 110 0.009
0.794 13M 1b -0.039 -221.998 TTT 17285.869 -3.432 -1.284 110 0.006
-1.286 13M 1b -0.349 -224.163 TTT 17285.869 -5.288 -0.273 110 0.007
0.883 13M 1b -1.248 -224.114 TTT 17285.869 -4.339 0.571 110 0.009
1.085 13M 1b -3.124 -223.914 TTT 17285.869 -2.263 1.173 110 0.010
1.199 13M 1b -1.533 -223.523 TTT 17285.869 -3.463 1.637 110 0.010
1.545 13M 1b -0.424 -222.402 TTT 17285.869 -3.451 1.741 110 0.009
3.558 13M 1b -0.013 -218.547 TTT 17285.869 -0.007 -0.015 110 0.007