size kpts ecut energy a c/a pxx pyy pzz pxy pyz pzz
1_1_1 16 500 -19.00001238 4.046000000 1
2_2_2 8 500 -170.01490438 8.092000000 1
3_3_3 5 500 -579.70581338 12.138000000 1
