{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.780313 0.754908 0.022842 ] [ 0.866531 0.5 0.599418 ] [ 0.853286 0 0.49948 ] [ 0.780313 0.245092 0.022842 ] [ 0.280313 0.254908 0.022842 ] [ 0.366531 0 0.599418 ] [ 0.353286 0.5 0.49948 ] [ 0.280313 0.745092 0.022842 ] [ 0.595056 0 0.773438 ] [ 0.611378 0.305703 0.477192 ] [ 0.611378 0.694297 0.477192 ] [ 0.567939 0.5 0.854685 ] [ 0.095056 0.5 0.773438 ] [ 0.111378 0.805703 0.477192 ] [ 0.111378 0.194297 0.477192 ] [ 0.067939 0 0.854685 ] [ 0.836755 0 0.155106 ] [ 0.859426 0.203307 0.744739 ] [ 0.859426 0.796693 0.744739 ] [ 0.840848 0.700993 0.348148 ] [ 0.840848 0.299007 0.348148 ] [ 0.828502 0.5 0.932033 ] [ 0.336755 0.5 0.155106 ] [ 0.359426 0.703307 0.744739 ] [ 0.359426 0.296693 0.744739 ] [ 0.340848 0.200993 0.348148 ] [ 0.340848 0.799007 0.348148 ] [ 0.328502 0 0.932033 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "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" 13.75874539 "source-unit" "angstrom" } "b" { "source-value" 7.640208 "source-unit" "angstrom" } "c" { "source-value" 6.53593811 "source-unit" "angstrom" } "beta" { "source-value" 95.43850684 "source-unit" "degree" } }