{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnca" } "basis-atom-coordinates" { "source-value" [ [ 0.892927 0.216916 0.671927 ] [ 0.607073 0.783084 0.671927 ] [ 0.107073 0.716916 0.828073 ] [ 0.392927 0.283084 0.828073 ] [ 0.892927 0.283084 0.171927 ] [ 0.392927 0.216916 0.328073 ] [ 0.107073 0.783084 0.328073 ] [ 0.607073 0.716916 0.171927 ] [ 0.077722 0.111683 0.015929 ] [ 0.577722 0.388317 0.484071 ] [ 0.922278 0.611683 0.484071 ] [ 0.422278 0.888317 0.015929 ] [ 0.922278 0.888317 0.984071 ] [ 0.422278 0.611683 0.515929 ] [ 0.077722 0.388317 0.515929 ] [ 0.25 0 0.178589 ] [ 0.25 0.5 0.678589 ] [ 0.75 0 0.821411 ] [ 0.75 0.5 0.321411 ] [ 0.577722 0.111683 0.984071 ] [ 0.25 0.5 0.11357 ] [ 0.75 0.5 0.88643 ] [ 0.75 0 0.38643 ] [ 0.25 0 0.61357 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.943731 "source-unit" "angstrom" } "b" { "source-value" 8.17182387 "source-unit" "angstrom" } "c" { "source-value" 9.13922162 "source-unit" "angstrom" } }