{ "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" [ [ 0.487629 0.349304 0.638548 ] [ 0.512371 0.849304 0.361452 ] [ 0.010826 0.001771 0.887525 ] [ 0.989174 0.501771 0.112475 ] [ 0.519837 0.73424 0.870086 ] [ 0.480163 0.23424 0.129914 ] [ 0.013435 0.630367 0.575456 ] [ 0.986565 0.130367 0.424544 ] [ 0.769536 0.034852 0.556812 ] [ 0.752474 0.548052 0.466902 ] [ 0.247526 0.048052 0.533098 ] [ 0.270326 0.735524 0.030852 ] [ 0.039839 0.514315 0.75711 ] [ 0.506558 0.913313 0.842277 ] [ 0.208349 0.242728 0.296983 ] [ 0.287354 0.728877 0.677088 ] [ 0.960161 0.014315 0.24289 ] [ 0.009561 0.758158 0.403422 ] [ 0.493442 0.413313 0.157723 ] [ 0.230464 0.534852 0.443188 ] [ 0.449566 0.056166 0.137393 ] [ 0.253039 0.249932 0.948271 ] [ 0.990439 0.258158 0.596578 ] [ 0.791651 0.742728 0.703017 ] [ 0.729674 0.235524 0.969148 ] [ 0.746961 0.749932 0.051729 ] [ 0.712646 0.228877 0.322912 ] [ 0.550434 0.556166 0.862607 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Al" "Al" "Al" "Al" "F" "F" "F" "F" "F" "F" "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" 5.3368541733 "source-unit" "angstrom" } "b" { "source-value" 9.9153805 "source-unit" "angstrom" } "c" { "source-value" 7.4883695895 "source-unit" "angstrom" } "beta" { "source-value" 90.9236929187 "source-unit" "degree" } }