size kpts ecut energy a c/a pxx pyy pzz pxy pyz pzz
1_1_1 16 500 -19.01117035 4.103200000 1
2_2_2 8 500 -170.32443937 8.206400000 1
3_3_3 5 500 -580.86932639 12.309600000 1
