{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.227682 0.5 0.09018 ] [ 0.772318 0.5 0.90982 ] [ 0.039837 0.5 0.820853 ] [ 0.960163 0.5 0.179147 ] [ 0.81346 0 0.722119 ] [ 0.18654 0 0.277881 ] [ 0.131805 0.5 0.458297 ] [ 0.868195 0.5 0.541703 ] [ 0.727682 0 0.09018 ] [ 0.272318 0 0.90982 ] [ 0.539837 0 0.820853 ] [ 0.460163 0 0.179147 ] [ 0.31346 0.5 0.722119 ] [ 0.68654 0.5 0.277881 ] [ 0.631805 0 0.458297 ] [ 0.368195 0 0.541703 ] [ 0 0 0 ] [ 0.905411 0 0.340539 ] [ 0.094589 0 0.659461 ] [ 0.5 0.5 0 ] [ 0.405411 0.5 0.340539 ] [ 0.594589 0.5 0.659461 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.23243136335 "source-unit" "angstrom" } "b" { "source-value" 3.65423067 "source-unit" "angstrom" } "c" { "source-value" 10.0855897402 "source-unit" "angstrom" } "beta" { "source-value" 100.744506567 "source-unit" "degree" } }