{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.193798 0.063949 0.064287 ] [ 0.306202 0.063949 0.564287 ] [ 0.306202 0.436051 0.564287 ] [ 0.32261 0.75 0.268874 ] [ 0.479142 0.75 0.993733 ] [ 0.159308 0.25 0.787338 ] [ 0.806202 0.936051 0.935713 ] [ 0.659308 0.75 0.712662 ] [ 0.020858 0.75 0.493733 ] [ 0.693798 0.936051 0.435713 ] [ 0.193798 0.436051 0.064287 ] [ 0.340692 0.25 0.287338 ] [ 0.17739 0.75 0.768874 ] [ 0.979142 0.25 0.506267 ] [ 0.693798 0.563949 0.435713 ] [ 0.67739 0.25 0.731126 ] [ 0.806202 0.563949 0.935713 ] [ 0.520858 0.25 0.006267 ] [ 0.82261 0.25 0.231126 ] [ 0.840692 0.75 0.212662 ] [ 0.064199 0.489979 0.324461 ] [ 0.564199 0.510021 0.175539 ] [ 0.401625 0.75 0.524984 ] [ 0.935801 0.989979 0.675539 ] [ 0.435801 0.010021 0.824461 ] [ 0.564199 0.989979 0.175539 ] [ 0.098375 0.75 0.024984 ] [ 0.435801 0.489979 0.824461 ] [ 0.064199 0.010021 0.324461 ] [ 0.935801 0.510021 0.675539 ] [ 0.598375 0.25 0.475016 ] [ 0.901625 0.25 0.975016 ] ] } "species" { "source-value" [ "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Sc" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.8478146 "source-unit" "angstrom" } "b" { "source-value" 8.98799703 "source-unit" "angstrom" } "c" { "source-value" 11.34043146 "source-unit" "angstrom" } }