{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.29182 ] [ 0.666667 0.333333 0.70818 ] [ 0.172454 0.827546 0.35502 ] [ 0.655091 0.827546 0.35502 ] [ 0.172454 0.344909 0.35502 ] [ 0.344909 0.172454 0.64498 ] [ 0.666667 0.333333 0.892504 ] [ 0.333333 0.666667 0.107496 ] [ 0.827546 0.655091 0.64498 ] [ 0.827546 0.172454 0.64498 ] ] } "species" { "source-value" [ "K" "Al" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.01751907 "source-unit" "angstrom" } "c" { "source-value" 7.89858346 "source-unit" "angstrom" } }