{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.656254 0.501359 ] [ 0 0.343746 0.001359 ] [ 0.5 0.156254 0.501359 ] [ 0.5 0.843746 0.001359 ] [ 0 0.592246 0.130075 ] [ 0 0.407754 0.630075 ] [ 0 0.096725 0.871866 ] [ 0 0.903275 0.371866 ] [ 0.5 0.092246 0.130075 ] [ 0.5 0.907754 0.630075 ] [ 0.5 0.596725 0.871866 ] [ 0.5 0.403275 0.371866 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.30435838144 "source-unit" "angstrom" } "b" { "source-value" 7.65285492573 "source-unit" "angstrom" } "c" { "source-value" 14.38170457 "source-unit" "angstrom" } }