{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.457023 0.75 0.646894 ] [ 0.542977 0.25 0.353106 ] [ 0.049614 0.25 0.839847 ] [ 0.950386 0.75 0.160153 ] [ 0.046624 0.75 0.685363 ] [ 0.148676 0.25 0.064563 ] [ 0.303063 0.25 0.521776 ] [ 0.32589 0.75 0.878436 ] [ 0.316933 0.75 0.260782 ] [ 0.683067 0.25 0.739218 ] [ 0.67411 0.25 0.121564 ] [ 0.696937 0.75 0.478224 ] [ 0.851324 0.75 0.935437 ] [ 0.953376 0.25 0.314637 ] ] } "species" { "source-value" [ "Sr" "Sr" "La" "La" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.96440123 "source-unit" "angstrom" } "b" { "source-value" 4.41174248 "source-unit" "angstrom" } "c" { "source-value" 13.96589247 "source-unit" "angstrom" } "beta" { "source-value" 93.30910554 "source-unit" "degree" } }