{ "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 0.716394 0.000607 ] [ 0.75 0.283606 0.999393 ] [ 0.75 0.216394 0.499393 ] [ 0.25 0.783606 0.500607 ] [ 0.25 0.791332 0.166128 ] [ 0.75 0.208668 0.833872 ] [ 0.75 0.291332 0.333872 ] [ 0.25 0.708668 0.666128 ] [ 0.25 0.707541 0.33295 ] [ 0.75 0.292459 0.66705 ] [ 0.75 0.207541 0.16705 ] [ 0.25 0.792459 0.83295 ] [ 0.75 0.586173 0.103618 ] [ 0.75 0.913827 0.603618 ] [ 0.25 0.086173 0.396382 ] [ 0.25 0.416917 0.771154 ] [ 0.75 0.583083 0.228846 ] [ 0.75 0.916917 0.728846 ] [ 0.25 0.413827 0.896382 ] [ 0.25 0.083083 0.271154 ] [ 0.25 0.409998 0.569076 ] [ 0.75 0.590002 0.430924 ] [ 0.75 0.909998 0.930924 ] [ 0.25 0.090002 0.069076 ] [ 0.25 0.084084 0.932448 ] [ 0.75 0.915916 0.067552 ] [ 0.75 0.584084 0.567552 ] [ 0.25 0.415916 0.432448 ] [ 0.25 0.087546 0.738311 ] [ 0.75 0.587546 0.761689 ] [ 0.25 0.412454 0.238311 ] [ 0.25 0.08364 0.594211 ] [ 0.75 0.91636 0.405789 ] [ 0.75 0.58364 0.905789 ] [ 0.25 0.41636 0.094211 ] [ 0.75 0.912454 0.261689 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.55712113 "source-unit" "angstrom" } "b" { "source-value" 7.84862483 "source-unit" "angstrom" } "c" { "source-value" 21.76446009 "source-unit" "angstrom" } }