{ "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 0.961915 0.851292 ] [ 0.75 0.038085 0.148708 ] [ 0.75 0.461915 0.648708 ] [ 0.25 0.538085 0.351292 ] [ 0.25 0.169553 0.521691 ] [ 0.75 0.830447 0.478309 ] [ 0.75 0.669553 0.978309 ] [ 0.25 0.330447 0.021691 ] [ 0.25 0.305095 0.711952 ] [ 0.75 0.694905 0.288048 ] [ 0.75 0.805095 0.788048 ] [ 0.25 0.194905 0.211952 ] [ 0.25 0.951593 0.373979 ] [ 0.75 0.048407 0.626021 ] [ 0.75 0.451593 0.126021 ] [ 0.25 0.548407 0.873979 ] [ 0.25 0.864794 0.051078 ] [ 0.75 0.135206 0.948922 ] [ 0.75 0.364794 0.448922 ] [ 0.25 0.635206 0.551078 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 4.16011469 "source-unit" "angstrom" } "b" { "source-value" 11.62226866 "source-unit" "angstrom" } "c" { "source-value" 12.53561929 "source-unit" "angstrom" } }