{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.744602 0.264465 0.622284 ] [ 0.255398 0.764465 0.877716 ] [ 0.255398 0.735535 0.377716 ] [ 0.744602 0.235535 0.122284 ] [ 0.217037 0.243929 0.613509 ] [ 0.782963 0.743929 0.886491 ] [ 0.782963 0.756071 0.386491 ] [ 0.217037 0.256071 0.113509 ] [ 0.241347 0.525156 0.136951 ] [ 0.758653 0.025156 0.363049 ] [ 0.758653 0.474844 0.863049 ] [ 0.241347 0.974844 0.636951 ] [ 0.08144 0.113286 0.17433 ] [ 0.91856 0.613286 0.32567 ] [ 0.91856 0.886714 0.82567 ] [ 0.08144 0.386714 0.67433 ] [ 0.340413 0.132472 0.032728 ] [ 0.659587 0.632472 0.467272 ] [ 0.659587 0.867528 0.967272 ] [ 0.340413 0.367528 0.532728 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "B" "B" "B" "B" "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" 6.65164492394 "source-unit" "angstrom" } "b" { "source-value" 5.11114866 "source-unit" "angstrom" } "c" { "source-value" 8.46099415211 "source-unit" "angstrom" } "beta" { "source-value" 109.64909237 "source-unit" "degree" } }