{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P31c" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.944701 ] [ 0.666667 0.333333 0.444701 ] [ 0.333333 0.666667 0.545918 ] [ 0.666667 0.333333 0.045918 ] [ 0 0 0.824923 ] [ 0 0 0.324923 ] [ 0.301564 0.952755 0.48081 ] [ 0.333333 0.666667 0.730574 ] [ 0.047245 0.348809 0.48081 ] [ 0.651191 0.698436 0.48081 ] [ 0.698436 0.651191 0.98081 ] [ 0.666667 0.333333 0.230574 ] [ 0.952755 0.301564 0.98081 ] [ 0.348809 0.047245 0.98081 ] ] } "species" { "source-value" [ "Li" "Li" "Si" "Si" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.13696741 "source-unit" "angstrom" } "c" { "source-value" 8.74419966 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.522054477857142 "source-unit" "eV" } }