| Name |
Value |
Reference |
Precision |
Difference |
Status |
| Energy [step 10] |
-2.470492354799795e+01 |
-2.470492354799226e+01 |
1.930000000000000e-11 |
-5.687894599759602e-12 |
PASS |
| Energy [step 20] |
-2.470793229359560e+01 |
-2.470793229358995e+01 |
1.920000000000000e-11 |
-5.648814749292796e-12 |
PASS |
| X Coordinate Atom 1 [step 10] |
-3.148773280586117e-01 |
-3.148773280586094e-01 |
3.150000000000000e-15 |
-2.331468351712829e-15 |
PASS |
| X Coordinate Atom 1 [step 20] |
-3.206882840568189e-01 |
-3.206882840568162e-01 |
3.210000000000000e-15 |
-2.664535259100376e-15 |
PASS |
| X Velocity Atom 1 [step 10] |
-1.577300126021061e-01 |
-1.577300126020932e-01 |
1.420000000000000e-14 |
-1.285083151003619e-14 |
PASS |
| X Velocity Atom 1 [step 20] |
-1.584986629316046e-01 |
-1.584986629315907e-01 |
1.540000000000000e-14 |
-1.393329895904571e-14 |
PASS |
| X Force Atom 1 [step 10] |
-5.427031944175795e+00 |
-5.427031944168380e+00 |
8.179999999999999e-12 |
-7.414513447656645e-12 |
PASS |
| X Force Atom 1 [step 20] |
-4.668028015457333e+00 |
-4.668028015450004e+00 |
8.120000000000000e-12 |
-7.329248319365433e-12 |
PASS |