conquest/pseudo-and-pao/GTH_LDA/Ti_q12/Ti.hgh

16 lines
300 B
Plaintext

2 3
Ti 12.00 0.380000 7.548789 -0.588377 0.000000 0.000000
2
0.334235 6.925740 1.216893
-3.142005
2
0.242416 5.079086 2.655593
-6.284281
1
0.242948 -9.125896
4
3 0 2.0 1
3 1 6.0 1
3 2 2.0 0
4 0 2.0 0