{ "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" [ [ 0.066075 0 0.0305 ] [ 0.040664 0.5 0.102301 ] [ 0.026823 0 0.174957 ] [ 0.016396 0.5 0.248108 ] [ 0.998165 0 0.322195 ] [ 0.978386 0.5 0.395365 ] [ 0.566075 0.5 0.0305 ] [ 0.540664 0 0.102301 ] [ 0.526823 0.5 0.174957 ] [ 0.516396 0 0.248108 ] [ 0.498165 0.5 0.322195 ] [ 0.478386 0 0.395365 ] [ 0.916383 0 0.472608 ] [ 0.998073 0.5 0.562444 ] [ 0.999632 0 0.65766 ] [ 0.03562 0.5 0.750079 ] [ 0.115203 0.5 0.935203 ] [ 0.060102 0 0.843011 ] [ 0.416383 0.5 0.472608 ] [ 0.498073 0 0.562444 ] [ 0.499632 0.5 0.65766 ] [ 0.53562 0 0.750079 ] [ 0.615203 0 0.935203 ] [ 0.560102 0.5 0.843011 ] [ 0.894245 0.5 0.042007 ] [ 0.870387 0 0.115325 ] [ 0.853023 0.5 0.186908 ] [ 0.84401 0 0.259454 ] [ 0.829898 0.5 0.329843 ] [ 0.813702 0 0.405627 ] [ 0.753957 0.5 0.505275 ] [ 0.835449 0 0.595387 ] [ 0.835213 0.5 0.689871 ] [ 0.872078 0 0.782618 ] [ 0.89595 0.5 0.875855 ] [ 0.95056 0 0.967401 ] [ 0.394245 0 0.042007 ] [ 0.370387 0.5 0.115325 ] [ 0.353023 0 0.186908 ] [ 0.34401 0.5 0.259454 ] [ 0.329898 0 0.329843 ] [ 0.313702 0.5 0.405627 ] [ 0.253957 0 0.505275 ] [ 0.335449 0.5 0.595387 ] [ 0.335213 0 0.689871 ] [ 0.372078 0.5 0.782618 ] [ 0.39595 0 0.875855 ] [ 0.45056 0.5 0.967401 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Zn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.88697411 "source-unit" "angstrom" } "b" { "source-value" 4.47965046 "source-unit" "angstrom" } "c" { "source-value" 41.87199989 "source-unit" "angstrom" } "beta" { "source-value" 90.53693881 "source-unit" "degree" } }