{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.327608 0.827608 0.5 ] [ 0.827608 0.672392 0.5 ] [ 0.172392 0.327608 0.5 ] [ 0.672392 0.172392 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.371573 0.128427 0 ] [ 0.871573 0.371573 0 ] [ 0.128427 0.628427 0 ] [ 0.628427 0.871573 0 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "In" "In" "Pd" "Pd" "Pd" "Pd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.68831989 "source-unit" "angstrom" } "c" { "source-value" 3.65918024 "source-unit" "angstrom" } }