{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0.243447 0.243447 0.872017 ] [ 0.756553 0.756553 0.872017 ] [ 0.256553 0.743447 0.627983 ] [ 0.743447 0.256553 0.627983 ] [ 0.743447 0.743447 0.372017 ] [ 0.256553 0.256553 0.372017 ] [ 0.756553 0.243447 0.127983 ] [ 0.243447 0.756553 0.127983 ] [ 0 0 0 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "In" "In" "In" "As" "As" "As" "As" "As" "As" "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" 6.30335173 "source-unit" "angstrom" } "c" { "source-value" 12.55567289 "source-unit" "angstrom" } }