ASE database

Age Maximum force atom_E str_E ads_E Maximum stress PBC Username Charge Dipole_val Volume Mass
13M 0.010 -0.039 -195.504 -2.619 0.008 TTT hecc 0.000 -0.793 1730.483 17285.869
13M 0.005 -0.349 -197.683 -4.490 0.006 TTT hecc 0.000 0.375 1730.483 17285.869
13M 0.009 -1.250 -199.306 -5.211 0.006 TTT hecc 0.000 0.645 1730.483 17285.869
13M 0.005 -3.120 -199.897 -3.932 0.005 TTT hecc 0.000 0.716 1730.483 17285.869
13M 0.013 -1.530 -199.470 -5.095 0.005 TTT hecc 0.000 0.779 1730.483 17285.869
13M 0.010 -0.424 -197.506 -4.237 0.006 TTT hecc 0.000 0.691 1730.483 17285.869
13M 0.010 -0.013 -192.866 -0.008 0.007 TTT hecc 0.000 -0.008 1730.483 17285.869
13M 0.006 -0.225 -195.024 -1.954 0.008 TTT hecc 0.000 -4.509 1730.483 17285.869
13M 0.008 -0.004 -194.558 -1.709 0.007 TTT hecc 0.000 -2.586 1730.483 17285.869
13M 0.008 -0.295 -196.341 -3.201 0.007 TTT hecc 0.000 -0.999 1730.483 17285.869
13M 0.010 -0.830 -197.812 -4.137 0.006 TTT hecc 0.000 0.033 1730.483 17285.869
13M 0.010 -1.890 -198.589 -3.854 0.006 TTT hecc 0.000 0.599 1730.483 17285.869
13M 0.008 -0.945 -198.348 -4.558 0.006 TTT hecc 0.000 0.730 1730.483 17285.869
13M 0.009 -0.243 -196.487 -3.399 0.006 TTT hecc 0.000 0.342 1730.483 17285.869
13M 0.011 -0.025 -192.878 -0.007 0.007 TTT hecc 0.000 -0.060 1730.483 17285.869
13M 0.009 -1.117 -196.520 -2.558 0.007 TTT hecc 0.000 0.018 1730.483 17285.869
13M 0.009 0.002 -192.846 -0.003 0.007 TTT hecc 0.000 -0.018 1730.483 17285.869
13M 0.010 -0.299 -195.476 -2.332 0.008 TTT hecc 0.000 -3.363 1730.483 17285.869
13M 0.010 -0.039 -195.497 -2.613 0.007 TTT hecc 0.000 -0.802 1730.483 17285.869
13M 0.005 -0.349 -197.667 -4.474 0.006 TTT hecc 0.000 0.352 1730.483 17285.869
13M 0.009 -1.248 -199.261 -5.168 0.005 TTT hecc 0.000 0.620 1730.483 17285.869
13M 0.009 -3.124 -199.816 -3.847 0.005 TTT hecc 0.000 0.718 1730.483 17285.869
13M 0.010 -1.533 -199.380 -5.003 0.006 TTT hecc 0.000 0.820 1730.483 17285.869
13M 0.010 -0.424 -197.474 -4.205 0.006 TTT hecc 0.000 0.747 1730.483 17285.869
13M 0.010 -0.013 -192.866 -0.008 0.007 TTT hecc 0.000 -0.010 1730.483 17285.869