{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccm2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.839809 0.257768 ] [ 0 0.160191 0.757768 ] [ 0.5 0.339809 0.257768 ] [ 0.5 0.660191 0.757768 ] [ 0 0.067628 0.090806 ] [ 0 0.932372 0.590806 ] [ 0 0.262362 0.498897 ] [ 0 0.737638 0.998897 ] [ 0 0.370132 0.882529 ] [ 0 0.629868 0.382529 ] [ 0.5 0.567628 0.090806 ] [ 0.5 0.432372 0.590806 ] [ 0.5 0.762362 0.498897 ] [ 0.5 0.237638 0.998897 ] [ 0.5 0.870132 0.882529 ] [ 0.5 0.129868 0.382529 ] ] } "species" { "source-value" [ "Br" "Br" "Br" "Br" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.80158825631 "source-unit" "angstrom" } "b" { "source-value" 7.82437265198 "source-unit" "angstrom" } "c" { "source-value" 6.22883341 "source-unit" "angstrom" } }