{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.163232 ] [ 0.5 0.75 0.336768 ] [ 0.5 0.25 0.663232 ] [ 0 0.25 0.836768 ] [ 0 0.75 0.460925 ] [ 0 0.25 0.035469 ] [ 0.5 0.75 0.039075 ] [ 0.5 0.25 0.464531 ] [ 0.5 0.25 0.960925 ] [ 0.5 0.75 0.535469 ] [ 0 0.25 0.539075 ] [ 0 0.75 0.964531 ] [ 0 0.25 0.278856 ] [ 0.5 0.25 0.221144 ] [ 0.5 0.25 0.103544 ] [ 0 0.25 0.396456 ] [ 0.5 0.75 0.778856 ] [ 0 0.75 0.721144 ] [ 0 0.75 0.603544 ] [ 0.5 0.75 0.896456 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.15162689058 "source-unit" "angstrom" } "b" { "source-value" 4.25534239345 "source-unit" "angstrom" } "c" { "source-value" 21.1861423298 "source-unit" "angstrom" } }