[ { "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" 5.84571285545826 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.84571285545826e-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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" 5.84571285545826 "source-unit" "angstrom" "si-unit" "m" "si-value" 5.84571285545826e-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" 2.6084307051041358 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.179166692694706e-19 } } ]