{ "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" [ [ 0.234858 0.75 0.080437 ] [ 0.746042 0.983429 0.247314 ] [ 0.746042 0.516571 0.247314 ] [ 0.253958 0.483429 0.752686 ] [ 0.253958 0.016571 0.752686 ] [ 0.765142 0.25 0.919563 ] [ 0.233752 0.25 0.346129 ] [ 0.766248 0.75 0.653871 ] [ 0.276691 0.75 0.402191 ] [ 0.723309 0.25 0.597809 ] [ 0.27534 0.25 0.047623 ] [ 0.72466 0.75 0.952377 ] [ 0.723072 0.75 0.084037 ] [ 0.054367 0.25 0.111547 ] [ 0.490009 0.25 0.117519 ] [ 0.217355 0.938194 0.287665 ] [ 0.217355 0.561806 0.287665 ] [ 0.620928 0.75 0.414674 ] [ 0.811296 0.25 0.389111 ] [ 0.188704 0.75 0.610889 ] [ 0.379072 0.25 0.585326 ] [ 0.782645 0.438194 0.712335 ] [ 0.782645 0.061806 0.712335 ] [ 0.509991 0.75 0.882481 ] [ 0.945633 0.75 0.888453 ] [ 0.276928 0.25 0.915963 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Bi" "Bi" "As" "As" "C" "C" "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" 5.16650984 "source-unit" "angstrom" } "b" { "source-value" 7.41198164 "source-unit" "angstrom" } "c" { "source-value" 9.84958244 "source-unit" "angstrom" } "beta" { "source-value" 90.7866512 "source-unit" "degree" } }