{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.813376 0.871952 0.5 ] [ 0.871952 0.186624 0.5 ] [ 0.128048 0.813376 0.5 ] [ 0.186624 0.128048 0.5 ] [ 0 0 0 ] [ 0.313376 0.371952 0 ] [ 0.371952 0.686624 0 ] [ 0.628048 0.313376 0 ] [ 0.686624 0.628048 0 ] [ 0.5 0.5 0.5 ] [ 0.052178 0.296187 0 ] [ 0.296187 0.947822 0 ] [ 0.703813 0.052178 0 ] [ 0.947822 0.703813 0 ] [ 0.552178 0.796187 0.5 ] [ 0.796187 0.447822 0.5 ] [ 0.203813 0.552178 0.5 ] [ 0.447822 0.203813 0.5 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.3460914731 "source-unit" "angstrom" } "c" { "source-value" 3.58512726469 "source-unit" "angstrom" } }