{ "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" [ [ 0.941709 0.162341 0 ] [ 0.162341 0.058291 0 ] [ 0.837659 0.941709 0 ] [ 0.058291 0.837659 0 ] [ 0.827695 0.085197 0.5 ] [ 0.085197 0.172305 0.5 ] [ 0.914803 0.827695 0.5 ] [ 0.172305 0.914803 0.5 ] [ 0.441709 0.662341 0.5 ] [ 0.662341 0.558291 0.5 ] [ 0.337659 0.441709 0.5 ] [ 0.558291 0.337659 0.5 ] [ 0.327695 0.585197 0 ] [ 0.585197 0.672305 0 ] [ 0.414803 0.327695 0 ] [ 0.672305 0.414803 0 ] [ 0 0 0.290478 ] [ 0 0 0.709522 ] [ 0.5 0.5 0.790478 ] [ 0.5 0.5 0.209522 ] [ 0.884327 0.337234 0.5 ] [ 0.337234 0.115673 0.5 ] [ 0.662766 0.884327 0.5 ] [ 0.115673 0.662766 0.5 ] [ 0.384327 0.837234 0 ] [ 0.837234 0.615673 0 ] [ 0.162766 0.384327 0 ] [ 0.615673 0.162766 0 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Ru" "Ru" "Ru" "Ru" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.4633235584 "source-unit" "angstrom" } "c" { "source-value" 6.8825748512 "source-unit" "angstrom" } }