ASE database

E PBC Volume Age Energy Si_rate Maximum force Username Calculator
0.292 TTT 1443.212 43M -43.782 0.333 0.024 yangxb vasp
0.294 TTT 1438.324 43M -43.757 0.333 0.009 yangxb vasp
0.292 TTT 1444.461 43M -43.775 0.333 0.020 yangxb vasp
0.244 TTT 1427.043 43M -44.350 0.333 0.021 yangxb vasp
0.295 TTT 1438.335 43M -43.745 0.333 0.008 yangxb vasp
0.245 TTT 1427.795 43M -44.346 0.333 0.023 yangxb vasp
0.245 TTT 1427.022 43M -44.347 0.333 0.015 yangxb vasp
0.245 TTT 1422.997 43M -44.340 0.333 0.006 yangxb vasp
0.292 TTT 1443.172 43M -43.781 0.333 0.008 yangxb vasp
0.294 TTT 1438.695 43M -43.753 0.333 0.007 yangxb vasp
0.244 TTT 1426.272 43M -44.356 0.333 0.007 yangxb vasp
0.245 TTT 1426.179 43M -44.346 0.333 0.014 yangxb vasp
0.274 TTT 1441.052 43M -43.990 0.333 0.016 yangxb vasp
0.294 TTT 1438.513 43M -43.752 0.333 0.006 yangxb vasp
0.244 TTT 1426.469 43M -44.350 0.333 0.018 yangxb vasp
0.291 TTT 1443.445 43M -43.788 0.333 0.008 yangxb vasp
0.294 TTT 1438.125 43M -43.754 0.333 0.006 yangxb vasp
0.245 TTT 1425.373 43M -44.338 0.333 0.007 yangxb vasp
0.245 TTT 1426.636 43M -44.344 0.333 0.023 yangxb vasp
0.294 TTT 1438.222 43M -43.750 0.333 0.008 yangxb vasp
0.246 TTT 1422.899 43M -44.332 0.333 0.010 yangxb vasp
0.245 TTT 1422.627 43M -44.337 0.333 0.035 yangxb vasp
0.244 TTT 1426.396 43M -44.348 0.333 0.009 yangxb vasp
0.295 TTT 1438.343 43M -43.746 0.333 0.008 yangxb vasp
0.291 TTT 1443.553 43M -43.784 0.333 0.041 yangxb vasp