{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42d" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.25 ] [ 0.126769 0.75 0.375 ] [ 0.373231 0.75 0.875 ] [ 0.75 0.873231 0.625 ] [ 0.25 0.126769 0.625 ] [ 0.626769 0.25 0.875 ] [ 0.873231 0.25 0.375 ] [ 0.25 0.373231 0.125 ] [ 0.75 0.626769 0.125 ] [ 0.423207 0.672257 0.193087 ] [ 0.672257 0.923207 0.943087 ] [ 0.327743 0.076793 0.943087 ] [ 0.827743 0.923207 0.306913 ] [ 0.076793 0.827743 0.693087 ] [ 0.423207 0.827743 0.556913 ] [ 0.672257 0.576793 0.806913 ] [ 0.576793 0.172257 0.556913 ] [ 0.923207 0.172257 0.693087 ] [ 0.172257 0.423207 0.443087 ] [ 0.827743 0.576793 0.443087 ] [ 0.327743 0.423207 0.806913 ] [ 0.576793 0.327743 0.193087 ] [ 0.923207 0.327743 0.056913 ] [ 0.172257 0.076793 0.306913 ] [ 0.076793 0.672257 0.056913 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.07096276265 "source-unit" "angstrom" } "c" { "source-value" 9.06478333975 "source-unit" "angstrom" } }