{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1md" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.249343 ] [ 0 0.5 0.999343 ] [ 0 0 0.749343 ] [ 0.5 0 0.499343 ] [ 0 0 0.167657 ] [ 0.5 0 0.917657 ] [ 0.5 0.5 0.667657 ] [ 0 0.5 0.417657 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.48467865166 "source-unit" "angstrom" } "c" { "source-value" 11.7614902049 "source-unit" "angstrom" } }