{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.25 0 0.875618 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.25 ] [ 0.75 0 0.124382 ] [ 0.75 0.5 0.375618 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.75 ] [ 0.25 0.5 0.624382 ] [ 0.515584 0 0.739312 ] [ 0.984416 0 0.739312 ] [ 0.25 0.271475 0.007577 ] [ 0.25 0.728525 0.007577 ] [ 0.75 0.271475 0.992423 ] [ 0.75 0.728525 0.992423 ] [ 0.015584 0 0.260688 ] [ 0.484416 0 0.260688 ] [ 0.015584 0.5 0.239312 ] [ 0.484416 0.5 0.239312 ] [ 0.75 0.771475 0.507577 ] [ 0.75 0.228525 0.507577 ] [ 0.25 0.771475 0.492423 ] [ 0.25 0.228525 0.492423 ] [ 0.515584 0.5 0.760688 ] [ 0.984416 0.5 0.760688 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.60806394 "source-unit" "angstrom" } "b" { "source-value" 6.64478855 "source-unit" "angstrom" } "c" { "source-value" 9.3704251 "source-unit" "angstrom" } }