{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.131155 0 0.911178 ] [ 0.868845 0 0.088822 ] [ 0.863968 0 0.587794 ] [ 0.136032 0 0.412206 ] [ 0.631155 0.5 0.911178 ] [ 0.368845 0.5 0.088822 ] [ 0.363968 0.5 0.587794 ] [ 0.636032 0.5 0.412206 ] [ 0.918113 0.5 0.346783 ] [ 0.910429 0.5 0.848847 ] [ 0.081887 0.5 0.653217 ] [ 0.089571 0.5 0.151153 ] [ 0.418113 0 0.346783 ] [ 0.410429 0 0.848847 ] [ 0.581887 0 0.653217 ] [ 0.589571 0 0.151153 ] [ 0.815163 0 0.336613 ] [ 0.190611 0 0.170538 ] [ 0.184837 0 0.663387 ] [ 0.809389 0 0.829462 ] [ 0.315163 0.5 0.336613 ] [ 0.690611 0.5 0.170538 ] [ 0.684837 0.5 0.663387 ] [ 0.309389 0.5 0.829462 ] ] } "species" { "source-value" [ "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" "Ru" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.660577954 "source-unit" "angstrom" } "b" { "source-value" 4.84248363785 "source-unit" "angstrom" } "c" { "source-value" 10.0135873694 "source-unit" "angstrom" } "beta" { "source-value" 102.943056871 "source-unit" "degree" } }