{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.176228 0.676228 0 ] [ 0.823772 0.323772 0 ] [ 0.323772 0.176228 0 ] [ 0.676228 0.823772 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.377555 0.877555 0 ] [ 0.877555 0.622445 0 ] [ 0.122445 0.377555 0 ] [ 0.622445 0.122445 0 ] [ 0.5 0 0.5 ] [ 0.71712 0.571156 0.5 ] [ 0.571156 0.28288 0.5 ] [ 0.428844 0.71712 0.5 ] [ 0.28288 0.428844 0.5 ] [ 0 0.5 0.5 ] [ 0.928844 0.78288 0.5 ] [ 0.78288 0.071156 0.5 ] [ 0.21712 0.928844 0.5 ] [ 0.071156 0.21712 0.5 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "V" "V" "B" "B" "B" "B" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.3711901 "source-unit" "angstrom" } "c" { "source-value" 3.11939083 "source-unit" "angstrom" } }