{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.551052 0.89753 0.853512 ] [ 0.60247 0.146488 0.051052 ] [ 0.89753 0.853512 0.551052 ] [ 0.146488 0.051052 0.60247 ] [ 0.10247 0.353512 0.948948 ] [ 0.051052 0.60247 0.146488 ] [ 0.353512 0.948948 0.10247 ] [ 0.948948 0.10247 0.353512 ] [ 0.853512 0.551052 0.89753 ] [ 0.646488 0.448948 0.39753 ] [ 0.448948 0.39753 0.646488 ] [ 0.39753 0.646488 0.448948 ] [ 0.020279 0.479721 0.520279 ] [ 0.520279 0.020279 0.479721 ] [ 0.979721 0.979721 0.979721 ] [ 0.479721 0.520279 0.020279 ] [ 0.226644 0.226644 0.226644 ] [ 0.273356 0.773356 0.726644 ] [ 0.726644 0.273356 0.773356 ] [ 0.773356 0.726644 0.273356 ] [ 0.399506 0.898998 0.372196 ] [ 0.899506 0.601002 0.627804 ] [ 0.600494 0.398998 0.127804 ] [ 0.601002 0.627804 0.899506 ] [ 0.127804 0.600494 0.398998 ] [ 0.627804 0.899506 0.601002 ] [ 0.898998 0.372196 0.399506 ] [ 0.372196 0.399506 0.898998 ] [ 0.398998 0.127804 0.600494 ] [ 0.100494 0.101002 0.872196 ] [ 0.872196 0.100494 0.101002 ] [ 0.134296 0.365704 0.634296 ] [ 0.365704 0.634296 0.134296 ] [ 0.634296 0.134296 0.365704 ] [ 0.865704 0.865704 0.865704 ] [ 0.101002 0.872196 0.100494 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "As" "As" "As" "As" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.645469 "source-unit" "angstrom" } }