| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 10] |
-2.964441850177132e+01 |
-2.964441850177116e+01 |
2.960000000000000e-13 |
-1.563194018672220e-13 |
PASS |
| Energy [step 20] |
-2.964454097232381e+01 |
-2.964454097232387e+01 |
2.960000000000000e-13 |
5.329070518200751e-14 |
PASS |
| X Coordinate Atom 1 [step 10] |
-2.646332286077992e-01 |
-2.646332286077992e-01 |
2.650000000000000e-15 |
0.000000000000000e+00 |
PASS |
| X Coordinate Atom 1 [step 20] |
-2.647670097862593e-01 |
-2.647670097862594e-01 |
2.650000000000000e-15 |
5.551115123125783e-17 |
PASS |
| X Velocity Atom 1 [step 10] |
-2.428122809577847e-03 |
-2.428122809577865e-03 |
3.550000000000000e-17 |
1.821459649775647e-17 |
PASS |
| X Velocity Atom 1 [step 20] |
-4.851461896627721e-03 |
-4.851461896627746e-03 |
5.390000000000000e-17 |
2.515349040166370e-17 |
PASS |
| X Force Atom 1 [step 10] |
-1.591896337508854e+01 |
-1.591896337508860e+01 |
1.660000000000000e-13 |
5.684341886080801e-14 |
PASS |
| X Force Atom 1 [step 20] |
-1.587430653996585e+01 |
-1.587430653996585e+01 |
1.590000000000000e-13 |
3.552713678800501e-15 |
PASS |