{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.172843 0.059075 ] [ 0.75 0.327157 0.559075 ] [ 0.25 0.552992 0.216352 ] [ 0.25 0.672843 0.440925 ] [ 0.75 0.447008 0.783648 ] [ 0.25 0.052992 0.283648 ] [ 0.75 0.947008 0.716352 ] [ 0.75 0.827157 0.940925 ] [ 0.25 0.61839 0.651931 ] [ 0.75 0.002386 0.439762 ] [ 0.75 0.502386 0.060238 ] [ 0.75 0.88161 0.151931 ] [ 0.75 0.38161 0.348069 ] [ 0.25 0.997614 0.560238 ] [ 0.25 0.11839 0.848069 ] [ 0.25 0.497614 0.939762 ] [ 0.75 0.2495 0.937534 ] [ 0.75 0.754798 0.315019 ] [ 0.75 0.254798 0.184981 ] [ 0.25 0.245202 0.684981 ] [ 0.25 0.2505 0.437534 ] [ 0.25 0.7505 0.062466 ] [ 0.75 0.7495 0.562466 ] [ 0.25 0.745202 0.815019 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.93513509 "source-unit" "angstrom" } "b" { "source-value" 7.37481489 "source-unit" "angstrom" } "c" { "source-value" 16.23207448 "source-unit" "angstrom" } }