{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.666667 0.333333 0.834574 ] [ 0.333333 0.666667 0.165426 ] [ 0 0 0.5 ] [ 0.454079 0.29704 0.369041 ] [ 0.70296 0.157039 0.369041 ] [ 0.842961 0.545921 0.369041 ] [ 0.545921 0.70296 0.630959 ] [ 0.29704 0.842961 0.630959 ] [ 0.157039 0.454079 0.630959 ] [ 0.212756 0.276001 0.286334 ] [ 0.723999 0.936754 0.286334 ] [ 0.063246 0.787244 0.286334 ] [ 0.787244 0.723999 0.713666 ] [ 0.276001 0.063246 0.713666 ] [ 0.936754 0.212756 0.713666 ] [ 0.626859 0.532446 0.199586 ] [ 0.467554 0.094414 0.199586 ] [ 0.905586 0.373141 0.199586 ] [ 0.373141 0.467554 0.800414 ] [ 0.532446 0.905586 0.800414 ] [ 0.094414 0.626859 0.800414 ] ] } "species" { "source-value" [ "K" "K" "K" "Bi" "As" "As" "As" "As" "As" "As" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.88702517 "source-unit" "angstrom" } "c" { "source-value" 7.96230123 "source-unit" "angstrom" } }