{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.179579 ] [ 0.5 0.5 0.820421 ] [ 0 0 0.679579 ] [ 0 0 0.320421 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0.12878 ] [ 0 0 0.87122 ] [ 0.5 0.5 0.62878 ] [ 0.5 0.5 0.37122 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Ti" "Ti" "Ti" "Ti" "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" 3.79039358628 "source-unit" "angstrom" } "c" { "source-value" 14.9516609383 "source-unit" "angstrom" } }