size kpts ecut energy a c/a pxx pyy pzz pxy pyz pzz
1_1_1 16 500 -21.38937044 4.103200000 1
2_2_2 8 500 -173.18476220 8.206400000 1
3_3_3 5 500 -583.72638922 12.309600000 1
