ASE database

E PBC Volume Age Energy Si_rate Maximum force Username Calculator
0.293 TTT 1443.861 43M -43.767 0.333 0.007 yangxb vasp
0.294 TTT 1437.956 43M -43.749 0.333 0.009 yangxb vasp
0.244 TTT 1426.074 43M -44.350 0.333 0.017 yangxb vasp
0.244 TTT 1425.617 43M -44.349 0.333 0.012 yangxb vasp
0.292 TTT 1444.530 43M -43.777 0.333 0.068 yangxb vasp
0.294 TTT 1438.041 43M -43.756 0.333 0.007 yangxb vasp
0.292 TTT 1443.714 43M -43.783 0.333 0.015 yangxb vasp
0.302 TTT 1443.376 43M -43.654 0.333 0.396 yangxb vasp
0.291 TTT 1443.844 43M -43.789 0.333 0.011 yangxb vasp
0.244 TTT 1426.518 43M -44.357 0.333 0.009 yangxb vasp
0.294 TTT 1438.460 43M -43.749 0.333 0.010 yangxb vasp
0.244 TTT 1426.111 43M -44.353 0.333 0.015 yangxb vasp
0.293 TTT 1445.776 43M -43.770 0.333 0.065 yangxb vasp
0.290 TTT 1443.943 43M -43.796 0.333 0.016 yangxb vasp
0.275 TTT 1441.381 43M -43.977 0.333 0.012 yangxb vasp
0.294 TTT 1438.664 43M -43.756 0.333 0.009 yangxb vasp
0.244 TTT 1426.604 43M -44.357 0.333 0.034 yangxb vasp
0.244 TTT 1425.321 43M -44.351 0.333 0.020 yangxb vasp
0.244 TTT 1427.002 43M -44.354 0.333 0.014 yangxb vasp
0.295 TTT 1438.226 43M -43.746 0.333 0.009 yangxb vasp
0.243 TTT 1426.595 43M -44.365 0.333 0.008 yangxb vasp
0.291 TTT 1444.357 43M -43.791 0.333 0.043 yangxb vasp
0.294 TTT 1438.419 43M -43.749 0.333 0.010 yangxb vasp
0.245 TTT 1425.182 43M -44.344 0.333 0.008 yangxb vasp
0.245 TTT 1426.366 43M -44.344 0.333 0.008 yangxb vasp