{ "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" [ [ 0.333333 0.666667 0.601683 ] [ 0.666667 0.333333 0.398317 ] [ 0 0 0 ] [ 0.333333 0.666667 0.066012 ] [ 0.666667 0.333333 0.933988 ] [ 0.229138 0.890728 0.221794 ] [ 0.890728 0.66159 0.778206 ] [ 0.770862 0.109272 0.778206 ] [ 0.33841 0.229138 0.778206 ] [ 0.66159 0.770862 0.221794 ] [ 0.109272 0.33841 0.221794 ] ] } "species" { "source-value" [ "K" "K" "Sn" "As" "As" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.78498595893 "source-unit" "angstrom" } "c" { "source-value" 7.3990152 "source-unit" "angstrom" } }