size kpts ecut energy a c/a pxx pyy pzz pxy pyz pzz
1_1_1 16 500 -12.23531182 4.030510186 1 -3.56869 -3.56869 -3.56869 0.00000 0.00000 -0.00000 1
2_1_1 8 500 -27.20191355 8.053924316 0.500506 -1.83174 0.50322 0.50322 0.00000 0.00000 0.00000 2
2_2_1 8 500 -57.15491423 8.069904737 0.500353 -0.96436 -0.96436 1.07238 0.00000 0.00000 0.00000 4
2_2_2 8 500 -117.08601594 8.077296472 1 -0.23518 -0.23518 -0.23518 -0.00000 0.00000 -0.00000 8
3_2_2 5 500 -177.03000700 12.099144955 0.667736 -0.90271 1.07958 1.07958 -0.00000 0.00000 -0.00000 12
3_3_2 5 500 -267.01005837 12.082350478 0.671886 0.30575 0.30575 -0.08963 0.00000 -0.00000 0.00000 18
3_3_3 5 500 -402.09058463 12.112575191 1 0.01526 0.01526 0.01526 0.00000 0.00000 -0.00000 27
4_3_3 4 500 -536.79016820 16.256082262 0.742904 0.04838 0.23149 0.23149 0.00000 0.00000 0.00000 36
4_4_4 4 500 -956.07131528 16.162178487 1 0.00857 0.00857 0.00857 0.00000 -0.00000 0.00000 64
