Libxc validation water
1.0
8.00000000000000 0.00000000000000 0.00000000000000
0.00000000000000 8.00000000000000 0.00000000000000
0.00000000000000 0.00000000000000 8.00000000000000
O H
1 2
Direct
0.50000000000000 0.50000000000000 0.50000000000000
0.59800000000000 0.50200000000000 0.56500000000000
0.40700000000000 0.50000000000000 0.56000000000000
