{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.557482 0.75 0.373933 ] [ 0.057482 0.25 0.126067 ] [ 0.442518 0.25 0.626067 ] [ 0.942518 0.75 0.873933 ] [ 0.275466 0.75 0.006681 ] [ 0.775466 0.25 0.493319 ] [ 0.724534 0.25 0.993319 ] [ 0.224534 0.75 0.506681 ] [ 0.610747 0.75 0.740746 ] [ 0.110747 0.25 0.759254 ] [ 0.389253 0.25 0.259254 ] [ 0.889253 0.75 0.240746 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.36733969 "source-unit" "angstrom" } "b" { "source-value" 6.60372221 "source-unit" "angstrom" } "c" { "source-value" 13.58439665 "source-unit" "angstrom" } }