{ "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" [ [ 0.077697 0.75 0.142316 ] [ 0.922303 0.25 0.857684 ] [ 0.423301 0.25 0.347726 ] [ 0.576699 0.75 0.652274 ] [ 0.080604 0.25 0.320147 ] [ 0.142685 0.75 0.927158 ] [ 0.323766 0.75 0.481852 ] [ 0.346902 0.25 0.139302 ] [ 0.375966 0.25 0.708789 ] [ 0.624034 0.75 0.291211 ] [ 0.653098 0.75 0.860698 ] [ 0.676234 0.25 0.518148 ] [ 0.857315 0.25 0.072842 ] [ 0.919396 0.75 0.679853 ] ] } "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" 8.65464768 "source-unit" "angstrom" } "b" { "source-value" 4.47242132 "source-unit" "angstrom" } "c" { "source-value" 14.08298552 "source-unit" "angstrom" } "beta" { "source-value" 92.80010829 "source-unit" "degree" } }