{ "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 0 0 ] [ 0.5 0.5 0 ] [ 0.323049 0.823049 0.5 ] [ 0.823049 0.676951 0.5 ] [ 0.176951 0.323049 0.5 ] [ 0.676951 0.176951 0.5 ] [ 0.108332 0.608332 0 ] [ 0.608332 0.891668 0 ] [ 0.391668 0.108332 0 ] [ 0.891668 0.391668 0 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.21434491 "source-unit" "angstrom" } "c" { "source-value" 3.30142532 "source-unit" "angstrom" } }