{ "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" [ [ 0.074986 0.527251 0.845391 ] [ 0.574986 0.972749 0.345391 ] [ 0.925014 0.472749 0.154609 ] [ 0.425014 0.027251 0.654609 ] [ 0.716079 0.561203 0.807159 ] [ 0.283921 0.438797 0.192841 ] [ 0.125235 0.596959 0.547217 ] [ 0.374765 0.096959 0.952783 ] [ 0.216079 0.938797 0.307159 ] [ 0.874765 0.403041 0.452783 ] [ 0.783921 0.061203 0.692841 ] [ 0.625235 0.903041 0.047217 ] [ 0.548875 0.438425 0.144232 ] [ 0.793777 0.091789 0.923916 ] [ 0.206223 0.908211 0.076084 ] [ 0.451125 0.561575 0.855768 ] [ 0.048875 0.061575 0.644232 ] [ 0.293777 0.408211 0.423916 ] [ 0.706223 0.591789 0.576084 ] [ 0.951125 0.938425 0.355768 ] [ 0.959913 0.991513 0.711503 ] [ 0.241389 0.081873 0.182186 ] [ 0.040087 0.008487 0.288497 ] [ 0.459913 0.508487 0.211503 ] [ 0.741389 0.418127 0.682186 ] [ 0.026639 0.336615 0.586227 ] [ 0.161804 0.872218 0.640487 ] [ 0.838196 0.127782 0.359513 ] [ 0.657053 0.879049 0.579892 ] [ 0.661804 0.627782 0.140487 ] [ 0.283273 0.511224 0.530692 ] [ 0.473361 0.836615 0.913773 ] [ 0.973361 0.663385 0.413773 ] [ 0.716727 0.488776 0.469308 ] [ 0.783273 0.988776 0.030692 ] [ 0.758611 0.918127 0.817814 ] [ 0.540087 0.491513 0.788497 ] [ 0.342947 0.120951 0.420108 ] [ 0.258611 0.581873 0.317814 ] [ 0.338196 0.372218 0.859513 ] [ 0.216727 0.011224 0.969308 ] [ 0.157053 0.620951 0.079892 ] [ 0.526639 0.163385 0.086227 ] [ 0.842947 0.379049 0.920108 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.33814518713 "source-unit" "angstrom" } "b" { "source-value" 4.53049265 "source-unit" "angstrom" } "c" { "source-value" 11.6897282657 "source-unit" "angstrom" } "beta" { "source-value" 111.871956922 "source-unit" "degree" } }