{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.669827 0.601327 0.743922 ] [ 0.330173 0.101327 0.756078 ] [ 0.669827 0.898673 0.243922 ] [ 0.330173 0.398673 0.256078 ] [ 0.697903 0.324876 0.905222 ] [ 0.568221 0.807253 0.906262 ] [ 0.058355 0.425815 0.735826 ] [ 0.941645 0.925815 0.764174 ] [ 0.431779 0.307253 0.593738 ] [ 0.302097 0.824876 0.594778 ] [ 0.697903 0.175124 0.405222 ] [ 0.568221 0.692747 0.406262 ] [ 0.058355 0.074185 0.235826 ] [ 0.941645 0.574185 0.264174 ] [ 0.431779 0.192747 0.093738 ] [ 0.302097 0.675124 0.094778 ] ] } "species" { "source-value" [ "Ba" "Ba" "Sr" "Sr" "Sr" "Sr" "I" "I" "I" "I" "I" "I" "I" "I" "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" 7.71392669 "source-unit" "angstrom" } "b" { "source-value" 8.3930946 "source-unit" "angstrom" } "c" { "source-value" 15.28962716 "source-unit" "angstrom" } "beta" { "source-value" 115.69231021 "source-unit" "degree" } }