{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.398264 0.25 ] [ 0 0.101736 0.75 ] [ 0 0.898264 0.25 ] [ 0.5 0.601736 0.75 ] [ 0.5 0.299887 0.75 ] [ 0 0.380894 0.556233 ] [ 0.5 0.119106 0.443767 ] [ 0 0.380894 0.943767 ] [ 0.5 0.119106 0.056233 ] [ 0 0.200113 0.25 ] [ 0 0.799887 0.75 ] [ 0.5 0.880894 0.556233 ] [ 0 0.619106 0.443767 ] [ 0.5 0.880894 0.943767 ] [ 0 0.619106 0.056233 ] [ 0.5 0.700113 0.25 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.61896489 "source-unit" "angstrom" } "b" { "source-value" 10.37998067 "source-unit" "angstrom" } "c" { "source-value" 6.54421806 "source-unit" "angstrom" } }