{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.744435 0.872218 0.997263 ] [ 0.872218 0.127782 0.497263 ] [ 0.542728 0.457272 0.79143 ] [ 0.085456 0.542728 0.29143 ] [ 0.457272 0.914544 0.29143 ] [ 0.542728 0.085456 0.79143 ] [ 0.914544 0.457272 0.79143 ] [ 0.457272 0.542728 0.29143 ] [ 0.127782 0.255565 0.997263 ] [ 0.872218 0.744435 0.497263 ] [ 0.255565 0.127782 0.497263 ] [ 0.127782 0.872218 0.997263 ] [ 0.666667 0.333333 0.3213 ] [ 0.333333 0.666667 0.8213 ] [ 0.1861 0.8139 0.551541 ] [ 0.3722 0.1861 0.051541 ] [ 0.8139 0.6278 0.051541 ] [ 0.1861 0.3722 0.551541 ] [ 0.6278 0.8139 0.551541 ] [ 0.8139 0.1861 0.051541 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "a" { "source-value" 10.0377807998 "source-unit" "angstrom" } "c" { "source-value" 6.30086558 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.9830771005 "source-unit" "eV" } }