{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.002537 0.25 ] [ 0 0.997463 0.75 ] [ 0.5 0.497463 0.75 ] [ 0.5 0.502537 0.25 ] [ 0.5 0.502537 0.25 ] [ 0.5 0.497463 0.75 ] [ 0 0.997463 0.75 ] [ 0 0.002537 0.25 ] [ 0 0.667188 0.121499 ] [ 0 0.667188 0.378501 ] [ 0.5 0.832812 0.878501 ] [ 0.5 0.832812 0.621499 ] [ 0.5 0.167188 0.121499 ] [ 0 0.332812 0.621499 ] [ 0.5 0.167188 0.378501 ] [ 0 0.332812 0.878501 ] [ 0.5 0.167188 0.121499 ] [ 0.5 0.167188 0.378501 ] [ 0 0.332812 0.878501 ] [ 0 0.332812 0.621499 ] [ 0 0.667188 0.121499 ] [ 0.5 0.832812 0.621499 ] [ 0 0.667188 0.378501 ] [ 0.5 0.832812 0.878501 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.484193125 "source-unit" "angstrom" } "b" { "source-value" 6.03479975 "source-unit" "angstrom" } "c" { "source-value" 13.08275213 "source-unit" "angstrom" } }