{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.767899 0.509376 0.210825 ] [ 0.232101 0.009376 0.789175 ] [ 0.210861 0.23504 0.355494 ] [ 0.789139 0.73504 0.644506 ] [ 0.280675 0.741983 0.420122 ] [ 0.719325 0.241983 0.579878 ] [ 0.277615 0.264729 0.071672 ] [ 0.722385 0.764729 0.928328 ] [ 0.693977 0.740813 0.055671 ] [ 0.065435 0.264666 0.126405 ] [ 0.459988 0.286767 0.154993 ] [ 0.194577 0.926384 0.31931 ] [ 0.15613 0.554635 0.337206 ] [ 0.821158 0.262989 0.411922 ] [ 0.584343 0.714768 0.432526 ] [ 0.415657 0.214768 0.567474 ] [ 0.178842 0.762989 0.588078 ] [ 0.84387 0.054635 0.662794 ] [ 0.805423 0.426384 0.68069 ] [ 0.540012 0.786767 0.845007 ] [ 0.934565 0.764666 0.873595 ] [ 0.306023 0.240813 0.944329 ] ] } "species" { "source-value" [ "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" 5.63077454 "source-unit" "angstrom" } "b" { "source-value" 7.21278357 "source-unit" "angstrom" } "c" { "source-value" 9.72474091 "source-unit" "angstrom" } "beta" { "source-value" 90.61930277 "source-unit" "degree" } }