size kpts ecut energy a c/a pxx pyy pzz pxy pyz pzz
1_1_1 16 500 -12.18576636 4.103200000 1
2_2_2 8 500 -163.35688269 8.206400000 1
3_3_3 5 500 -573.89825235 12.309600000 1
