{ "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 0.567281 0.896087 ] [ 0.75 0.067281 0.603913 ] [ 0.75 0.432719 0.103913 ] [ 0.25 0.932719 0.396087 ] [ 0.25 0.869142 0.116472 ] [ 0.75 0.369142 0.383528 ] [ 0.25 0.630858 0.616472 ] [ 0.75 0.130858 0.883528 ] [ 0.25 0.105238 0.184473 ] [ 0.75 0.894762 0.815527 ] [ 0.75 0.605238 0.315527 ] [ 0.25 0.394762 0.684473 ] [ 0.75 0.305231 0.932105 ] [ 0.25 0.805231 0.567895 ] [ 0.25 0.694769 0.067895 ] [ 0.75 0.194769 0.432105 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "C" "C" "C" "C" "S" "S" "S" "S" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.12140841 "source-unit" "angstrom" } "b" { "source-value" 5.68074516 "source-unit" "angstrom" } "c" { "source-value" 13.6096996 "source-unit" "angstrom" } }