BP.02 SODIUM CHLORIDE BATUECAS NATURE,173,345(1954) xxxx ICCALC=1IRCALC=1IDCALC=1IHCALC=1IPCALC=0INCALC=0NURLIM= 0NUDLIM= 0 IMADEL=1IFIELD=0IPOLAR=0IDIPOL=0ILONDN=0IREPUL=0IBONDS=1BONDMX= 2.000 INTRHO=0ILODIM=0IFGRAD=0IDIELT=0NWIGNR=0IBRIEF=0 ILOOPS=0RUNLBL= EWA= 0.500000000000000D+01 NATOMS= 8NATRIG= 0NZED= 4 NATMUL= 1NCHRGS= 1NFUCHS= 0NATPOL= 0NTENSR= 0NDIPOL= 0NREPUL= 0 VOL= 0.1793851504829D+03DAL= 0.5639780000000D+01 AX = 0.5639780000000D+01AY = 0.0000000000000D+00 BY = 0.5639780000000D+01 CX = 0.0000000000000D+00CY = 0.0000000000000D+00CZ = 0.5639780000000D+01 ASX= 0.1773118809599D+00 ASZ= 0.0000000000000D+00 BSX= 0.0000000000000D+00BSY= 0.1773118809599D+00BSZ= 0.0000000000000D+00 CSZ= 0.1773118809599D+00 NB1= 0NB2= 0NB3= 0NB4= 0NB5= 0NB6= 0NB7= 0NB8= 0NB9= 0 1NA 0 0 0 0 0.563978000000000D-01 0.563978000000000D-01 0.563978000000000D-01 2NA 0 0 0 0 0.563978000000000D-01 0.287628780000000D+01 0.287628780000000D+01 3NA 0 0 0 0 0.287628780000000D+01 0.563978000000000D-01 0.287628780000000D+01 4NA 0 0 0 0 0.287628780000000D+01 0.287628780000000D+01 0.563978000000000D-01 5CL 0 0 0 0 0.287628780000000D+01 0.287628780000000D+01 0.287628780000000D+01 6CL 0 0 0 0 0.287628780000000D+01 0.563978000000001D-01 0.563978000000001D-01 7CL 0 0 0 0 0.563978000000001D-01 0.287628780000000D+01 0.563978000000001D-01 8CL 0 0 0 0 0.563978000000001D-01 0.563978000000001D-01 0.287628780000000D+01 1 NA 0.100000000000000D+01 2 NA 0.100000000000000D+01 3 NA 0.100000000000000D+01 4 NA 0.100000000000000D+01 5 CL -0.100000000000000D+01 6 CL -0.100000000000000D+01 7 CL -0.100000000000000D+01 8 CL -0.100000000000000D+01 ELECTRICAL NEUTRALITY