{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.510032 0.290969 0.250207 ] [ 0.010032 0.709031 0.750207 ] [ 0.99366 0.780773 0.24934 ] [ 0.49366 0.219227 0.74934 ] [ 0.499928 0.749606 0.998624 ] [ 0.999928 0.250394 0.498624 ] [ 0.499636 0.750511 0.500423 ] [ 0.999636 0.249489 0.000423 ] [ 0.925667 0.270036 0.747375 ] [ 0.779241 0.534303 0.039444 ] [ 0.784887 0.530804 0.45969 ] [ 0.709736 0.032944 0.043407 ] [ 0.715791 0.039799 0.458411 ] [ 0.581424 0.765553 0.753079 ] [ 0.425667 0.729964 0.247375 ] [ 0.279241 0.465697 0.539444 ] [ 0.284887 0.469196 0.95969 ] [ 0.209736 0.967056 0.543407 ] [ 0.215791 0.960201 0.958411 ] [ 0.081424 0.234447 0.253079 ] ] } "species" { "source-value" [ "Ca" "Ca" "La" "La" "Ti" "Ti" "Cr" "Cr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.50009038399 "source-unit" "angstrom" } "b" { "source-value" 5.55019386 "source-unit" "angstrom" } "c" { "source-value" 7.77602614504 "source-unit" "angstrom" } "beta" { "source-value" 90.0097881145 "source-unit" "degree" } }