{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.218743 0.911861 0.5 ] [ 0.088139 0.218743 0.5 ] [ 0.911861 0.781257 0.5 ] [ 0.781257 0.088139 0.5 ] [ 0.091443 0.775685 0 ] [ 0.224315 0.091443 0 ] [ 0.775685 0.908557 0 ] [ 0.908557 0.224315 0 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0.718743 0.411861 0 ] [ 0.588139 0.718743 0 ] [ 0.411861 0.281257 0 ] [ 0.281257 0.588139 0 ] [ 0.591443 0.275685 0.5 ] [ 0.724315 0.591443 0.5 ] [ 0.275685 0.408557 0.5 ] [ 0.408557 0.724315 0.5 ] [ 0.154693 0.656114 0.5 ] [ 0.343886 0.154693 0.5 ] [ 0.656114 0.845307 0.5 ] [ 0.845307 0.343886 0.5 ] [ 0 0 0.218825 ] [ 0 0 0.781175 ] [ 0.654693 0.156114 0 ] [ 0.843886 0.654693 0 ] [ 0.156114 0.345307 0 ] [ 0.345307 0.843886 0 ] [ 0.5 0.5 0.718825 ] [ 0.5 0.5 0.281175 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.8643574099 "source-unit" "angstrom" } "c" { "source-value" 6.50757791627 "source-unit" "angstrom" } }