{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.756615 0.855015 0.214297 ] [ 0.743385 0.355015 0.285703 ] [ 0.756615 0.144985 0.714297 ] [ 0.743385 0.644985 0.785703 ] [ 0.256615 0.355015 0.214297 ] [ 0.243385 0.855015 0.285703 ] [ 0.256615 0.644985 0.714297 ] [ 0.243385 0.144985 0.785703 ] [ 0.124156 0.047685 0.473614 ] [ 0.124156 0.952315 0.973614 ] [ 0 0.790928 0.75 ] [ 0 0.209072 0.25 ] [ 0.875844 0.952315 0.526386 ] [ 0.875844 0.047685 0.026386 ] [ 0.624156 0.547685 0.473614 ] [ 0.624156 0.452315 0.973614 ] [ 0.5 0.290928 0.75 ] [ 0.5 0.709072 0.25 ] [ 0.375844 0.452315 0.526386 ] [ 0.375844 0.547685 0.026386 ] [ 0.5 0.872768 0.75 ] [ 0.5 0.127232 0.25 ] [ 0 0.372768 0.75 ] [ 0 0.627232 0.25 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.60449592689 "source-unit" "angstrom" } "b" { "source-value" 9.78356698779 "source-unit" "angstrom" } "c" { "source-value" 8.16463231655 "source-unit" "angstrom" } "beta" { "source-value" 100.647321622 "source-unit" "degree" } }