{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.207363 0.076313 ] [ 0 0.207363 0.423687 ] [ 0 0.792637 0.576313 ] [ 0 0.792637 0.923687 ] [ 0.5 0.779898 0.25 ] [ 0.5 0.220102 0.75 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.245383 0.990855 ] [ 0.5 0.245383 0.509145 ] [ 0.5 0.754617 0.009145 ] [ 0.5 0.754617 0.490855 ] [ 0 0.550431 0.75 ] [ 0 0.449569 0.25 ] [ 0 0.971985 0.75 ] [ 0 0.028015 0.25 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Hg" "Hg" "Hg" "Hg" "S" "S" "S" "S" "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" 4.11045471 "source-unit" "angstrom" } "b" { "source-value" 9.57892914 "source-unit" "angstrom" } "c" { "source-value" 10.10252608 "source-unit" "angstrom" } }