{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.104716 0.25 ] [ 0.5 0.895284 0.75 ] [ 0 0.783613 0.25 ] [ 0 0.216387 0.75 ] [ 0 0.604716 0.25 ] [ 0 0.395284 0.75 ] [ 0.5 0.283613 0.25 ] [ 0.5 0.716387 0.75 ] [ 0 0.041102 0.75 ] [ 0 0.958898 0.25 ] [ 0.5 0.541102 0.75 ] [ 0.5 0.458898 0.25 ] [ 0 0.80645 0.75 ] [ 0 0.19355 0.25 ] [ 0.5 0.30645 0.75 ] [ 0.5 0.69355 0.25 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Au" "Au" "Au" "Au" "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" 3.55942462668 "source-unit" "angstrom" } "b" { "source-value" 18.288477039 "source-unit" "angstrom" } "c" { "source-value" 4.96660995 "source-unit" "angstrom" } }