Created by AJB 2 atoms 2 atom types -0.529177 0.529177 xlo xhi -0.529177 0.529177 ylo yhi -0.529177 0.529177 zlo zhi Masses 1 1.000794 # H nuclei mass 2 0.000544616997098749 # electron mass Atoms 1 1 1.0 0 0.000000 0 1.0 0.0 0.0 0.0 0.0 # 0-tag 1-type 2-q 3-spin 4-eradius 5-etag 6-cs_re 7-cs_im 8-x 9-y 10-z 2 2 -1.0 1 0.861555 1 1.0 0.0 0.0 0.0 0.0