{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.254693 ] [ 0.5 0 0.745307 ] [ 0 0.5 0.745307 ] [ 0.5 0.5 0 ] [ 0 0.5 0.254693 ] [ 0 0 0.5 ] [ 0.729267 0.729267 0.386597 ] [ 0.222658 0.222658 0.888443 ] [ 0.777342 0.777342 0.888443 ] [ 0.222658 0.777342 0.111557 ] [ 0.270733 0.270733 0.386597 ] [ 0.777342 0.222658 0.111557 ] [ 0.270733 0.729267 0.613403 ] [ 0.729267 0.270733 0.613403 ] ] } "species" { "source-value" [ "In" "In" "In" "In" "In" "Ag" "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" 6.32622581 "source-unit" "angstrom" } "c" { "source-value" 12.84603985 "source-unit" "angstrom" } }