{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.93681 0.157221 ] [ 0.5 0.56319 0.157221 ] [ 0.5 0.365693 0.639229 ] [ 0.5 0.134307 0.639229 ] [ 0.5 0.06319 0.842779 ] [ 0.5 0.43681 0.842779 ] [ 0.5 0.75 0.034225 ] [ 0.5 0.865693 0.360771 ] [ 0.5 0.634307 0.360771 ] [ 0.5 0.25 0.965775 ] [ 0.5 0.88081 0.588837 ] [ 0.5 0.38081 0.411163 ] [ 0.5 0.25 0.226256 ] [ 0.5 0.11919 0.411163 ] [ 0.5 0.61919 0.588837 ] [ 0.5 0.75 0.773744 ] [ 0 0.593491 0.942421 ] [ 0 0.886818 0.724199 ] [ 0 0.906509 0.942421 ] [ 0 0.25 0.475375 ] [ 0 0.25 0.784322 ] [ 0 0.406509 0.057579 ] [ 0 0.613182 0.724199 ] [ 0 0.113182 0.275801 ] [ 0 0.386818 0.275801 ] [ 0 0 0.5 ] [ 0 0.75 0.524625 ] [ 0 0.75 0.215678 ] [ 0 0.093491 0.057579 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "B" "B" "B" "B" "B" "B" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 2.82277476 "source-unit" "angstrom" } "b" { "source-value" 11.4656430568 "source-unit" "angstrom" } "c" { "source-value" 12.2432007365 "source-unit" "angstrom" } }