{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.25 0.00365 0.391224 ] [ 0.49635 0.25 0.891224 ] [ 0.00365 0.25 0.891224 ] [ 0.75 0.99635 0.608776 ] [ 0.75 0.50365 0.608776 ] [ 0.25 0.49635 0.391224 ] [ 0.50365 0.75 0.108776 ] [ 0.99635 0.75 0.108776 ] [ 0.25 0.076203 0.094868 ] [ 0.423797 0.25 0.594868 ] [ 0.076203 0.25 0.594868 ] [ 0.75 0.923797 0.905132 ] [ 0.75 0.576203 0.905132 ] [ 0.25 0.423797 0.094868 ] [ 0.576203 0.75 0.405132 ] [ 0.923797 0.75 0.405132 ] ] } "species" { "source-value" [ "U" "U" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "B" "B" "B" "B" "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" 5.0005186 "source-unit" "angstrom" } "c" { "source-value" 6.9814373 "source-unit" "angstrom" } }