{ "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 0.25 0.774813 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0.75 0.225187 ] [ 0 0.25 0.277377 ] [ 0.5 0.5 0 ] [ 0 0.75 0.722623 ] [ 0.5 0 0 ] [ 0.5 0.25 0.130038 ] [ 0 0.53802 0.88349 ] [ 0.5 0.75 0.623721 ] [ 0.5 0.25 0.890653 ] [ 0 0.982147 0.365589 ] [ 0 0.517853 0.365589 ] [ 0 0.482147 0.634411 ] [ 0.5 0.75 0.109347 ] [ 0.5 0.25 0.376279 ] [ 0 0.96198 0.88349 ] [ 0 0.46198 0.11651 ] [ 0 0.03802 0.11651 ] [ 0.5 0.75 0.869962 ] [ 0 0.017853 0.634411 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Zr" "Zr" "Zr" "Zr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.67345142 "source-unit" "angstrom" } "b" { "source-value" 7.2074732 "source-unit" "angstrom" } "c" { "source-value" 10.85691107 "source-unit" "angstrom" } }