ATOMIC_SPECIES
H 1.008 ../../integrate/tools/PP_ORB/H_ONCV_PBE-1.0.upf
O 15.9994 ../../integrate/tools/PP_ORB/O_ONCV_PBE-1.0.upf
C 12.0107 ../../integrate/tools/PP_ORB/C_ONCV_PBE-1.0.upf

NUMERICAL_ORBITAL
../../integrate/tools/PP_ORB/H_gga_6au_60Ry_2s1p.orb
../../integrate/tools/PP_ORB/O_gga_6au_60Ry_2s2p1d.orb
../../integrate/tools/PP_ORB/C_gga_8au_100Ry_2s2p1d.orb

NUMERICAL_DESCRIPTOR
jle.orb

LATTICE_CONSTANT
1.8897259886

LATTICE_VECTORS
14.81696297 0 0
0 14.81696297 0
0 0 14.81696297

ATOMIC_POSITIONS
Cartesian

H
0
6
-0.026659883673	-1.262251382251	0.859338613252  1 1 1
0.0875757736	-1.117108649873	-1.007106919146 1 1 1
-2.067808085838	-0.561659587969	0.096643653226  1 1 1
-1.262985805244	0.849401728695	0.988673628575  1 1 1
-1.354121497872	1.128225565917	-0.813096926004 1 1 1
1.994706506726	0.106520155593	0.357089926471  1 1 1
O
0
1
1.1071583575	0.312975242126	-0.015691954405 1 1 1
C
0
2
-0.005614481908	-0.630963196783	-0.018126531088 1 1 1
-1.249305193753	0.285760275576	-0.001400017865 1 1 1

