{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.038719 0.975608 0.896514 ] [ 0.123389 0.501559 0.575126 ] [ 0.468629 0.687421 0.156125 ] [ 0.125557 0.520125 0.976342 ] [ 0.436358 0.708113 0.762548 ] [ 0.901409 0.250437 0.690109 ] [ 0.954986 0.715897 0.629062 ] [ 0.306551 0.285967 0.571868 ] [ 0.365779 0.761446 0.479864 ] [ 0.814644 0.327947 0.396557 ] [ 0.808301 0.843213 0.32038 ] [ 0.266897 0.371203 0.231069 ] [ 0.273217 0.878257 0.195361 ] [ 0.649183 0.978005 0.047415 ] [ 0.614375 0.504797 0.049661 ] ] } "species" { "source-value" [ "Ba" "Sb" "Sb" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.34953026 "source-unit" "angstrom" } "b" { "source-value" 5.7095297 "source-unit" "angstrom" } "c" { "source-value" 9.47594225 "source-unit" "angstrom" } "alpha" { "source-value" 91.62098013 "source-unit" "degree" } "beta" { "source-value" 104.43422405 "source-unit" "degree" } "gamma" { "source-value" 117.55709616 "source-unit" "degree" } }