{ "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" [ [ 0.332473 0.25 0.587374 ] [ 0.696209 0.75 0.92562 ] [ 0.303791 0.25 0.07438 ] [ 0.667527 0.75 0.412626 ] [ 0.182351 0.75 0.825418 ] [ 0.827289 0.25 0.733905 ] [ 0.817649 0.25 0.174582 ] [ 0.172711 0.75 0.266095 ] [ 0.117919 0.75 0.52973 ] [ 0.882081 0.25 0.47027 ] [ 0.005069 0.00138 0.828303 ] [ 0.361584 0.502073 0.345491 ] [ 0.253942 0.75 0.066258 ] [ 0.005069 0.49862 0.828303 ] [ 0.746058 0.25 0.933742 ] [ 0.994931 0.99862 0.171697 ] [ 0.361584 0.997927 0.345491 ] [ 0.370503 0.506779 0.839252 ] [ 0.638416 0.497927 0.654509 ] [ 0.638416 0.002073 0.654509 ] [ 0.629497 0.493221 0.160748 ] [ 0.370503 0.993221 0.839252 ] [ 0.629497 0.006779 0.160748 ] [ 0.994931 0.50138 0.171697 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Zn" "Zn" "Zn" "Zn" "Cl" "Cl" "F" "F" "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" 7.83134499714 "source-unit" "angstrom" } "b" { "source-value" 5.89017971 "source-unit" "angstrom" } "c" { "source-value" 9.05903068787 "source-unit" "angstrom" } "beta" { "source-value" 106.810112628 "source-unit" "degree" } }