[ { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" ] } "a" { "source-value" 5.522646501660347 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.522646501660347e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] ] } "space-group" { "source-value" "Fd-3m" } "temperature" { "source-value" 0 "source-unit" "K" "si-unit" "K" "si-value" 0.0 } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" "si-unit" "kg / m s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 ] } } { "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-cubic-crystal" "instance-id" 2 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" ] } "a" { "source-value" 5.522646501660347 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.522646501660347e-10 } "basis-atom-coordinates" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.25 0.25 0.25 ] [ 0.5 0.5 0.0 ] [ 0.75 0.75 0.25 ] [ 0.5 0.0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.0 0.5 0.5 ] [ 0.25 0.75 0.75 ] ] } "space-group" { "source-value" "Fd-3m" } "cohesive-potential-energy" { "source-value" 5.5655006296257215 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.916915065298618e-19 } } ]