{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0.262796 0.262796 0.877995 ] [ 0.737204 0.262796 0.122005 ] [ 0.737204 0.737204 0.877995 ] [ 0.262796 0.737204 0.122005 ] [ 0.762796 0.762796 0.377995 ] [ 0.237204 0.762796 0.622005 ] [ 0.237204 0.237204 0.377995 ] [ 0.762796 0.237204 0.622005 ] ] } "species" { "source-value" [ "Zn" "Zn" "Ga" "Ga" "Ga" "Ga" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.24049506131 "source-unit" "angstrom" } "c" { "source-value" 10.8709856388 "source-unit" "angstrom" } }