{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.093019 0.361559 ] [ 0.75 0.593019 0.138441 ] [ 0.75 0.906981 0.638441 ] [ 0.25 0.406981 0.861559 ] [ 0.25 0.617794 0.655066 ] [ 0.75 0.382206 0.344934 ] [ 0.25 0.882206 0.155066 ] [ 0.75 0.117794 0.844934 ] [ 0.25 0.043583 0.145173 ] [ 0.75 0.956417 0.854827 ] [ 0.75 0.543583 0.354827 ] [ 0.25 0.456417 0.645173 ] [ 0.25 0.732794 0.654252 ] [ 0.75 0.267206 0.345748 ] [ 0.75 0.232794 0.845748 ] [ 0.25 0.767206 0.154252 ] [ 0.25 0.125814 0.577797 ] [ 0.25 0.374186 0.077797 ] [ 0.75 0.625814 0.922203 ] [ 0.75 0.874186 0.422203 ] ] } "species" { "source-value" [ "Hg" "Hg" "Hg" "Hg" "C" "C" "C" "C" "S" "S" "S" "S" "N" "N" "N" "N" "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" 4.41248398 "source-unit" "angstrom" } "b" { "source-value" 10.26209675 "source-unit" "angstrom" } "c" { "source-value" 10.91932256 "source-unit" "angstrom" } }