size kpts ecut energy a c/a pxx pyy pzz pxy pyz pzz
1_1_1 16 500 -15.12121188 3.933476122 1 4.07075 4.07075 4.07075 0.00000 0.00000 -0.00000 1
2_1_1 8 500 -30.11894370 7.970159181 0.500862 -3.96992 -3.52403 -3.52403 0.00000 0.00000 0.00000 2
2_2_1 8 500 -60.03300711 7.970152477 0.510306 0.11317 0.11317 1.00061 -0.00000 0.00000 0.00000 4
2_2_2 8 500 -119.93368616 8.050201919 1 1.30282 1.30282 1.30282 0.00000 0.00000 -0.00000 8
3_2_2 5 500 -179.89209016 12.068873806 0.668212 0.84045 0.40582 0.40582 -0.00000 0.00000 -0.00000 12
3_3_2 5 500 -269.85480027 12.086133825 0.668941 -0.20254 -0.20254 -0.38641 0.00000 -0.00000 0.00000 18
3_3_3 5 500 -404.96081715 12.103994088 1 -0.54567 -0.54567 -0.54567 0.00000 -0.00000 -0.00000 27
4_3_3 4 500 -539.62630779 16.219309440 0.744662 0.61320 0.48427 0.48427 -0.00000 -0.00000 0.00000 36
4_4_4 4 500 -958.90006777 16.154729779 1 0.11447 0.11447 0.11447 -0.00000 -0.00000 -0.00000 64
