{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.054782 0.289082 0.455935 ] [ 0.860732 0.923261 0.25 ] [ 0.139268 0.076739 0.75 ] [ 0.639268 0.423261 0.75 ] [ 0.945218 0.710918 0.544065 ] [ 0.445218 0.789082 0.955935 ] [ 0.554782 0.210918 0.455935 ] [ 0.054782 0.289082 0.044065 ] [ 0.945218 0.710918 0.955935 ] [ 0.554782 0.210918 0.044065 ] [ 0.445218 0.789082 0.544065 ] [ 0.360732 0.576739 0.25 ] [ 0.282246 0.013143 0.25 ] [ 0.782246 0.486857 0.25 ] [ 0.217754 0.513143 0.75 ] [ 0.717754 0.986857 0.75 ] [ 0.303168 0.244827 0.25 ] [ 0.803168 0.255173 0.25 ] [ 0.196832 0.744827 0.75 ] [ 0.696832 0.755173 0.75 ] [ 0.998537 0.581475 0.25 ] [ 0.498537 0.918525 0.25 ] [ 0.501463 0.081475 0.75 ] [ 0.001463 0.418525 0.75 ] [ 0.833576 0.050306 0.917934 ] [ 0.333576 0.449694 0.582066 ] [ 0.666424 0.550306 0.082066 ] [ 0.166424 0.949694 0.417934 ] [ 0.166424 0.949694 0.082066 ] [ 0.833576 0.050306 0.582066 ] [ 0.333576 0.449694 0.917934 ] [ 0.666424 0.550306 0.417934 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Nb" "Nb" "Nb" "Nb" "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" 9.71679332 "source-unit" "angstrom" } "b" { "source-value" 9.88508524 "source-unit" "angstrom" } "c" { "source-value" 11.28878486 "source-unit" "angstrom" } }