{ "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" [ [ 0.287959 0.508699 0.796517 ] [ 0.712041 0.491301 0.203483 ] [ 0.712041 0.008699 0.703483 ] [ 0.287959 0.991301 0.296517 ] [ 0.853768 0.631703 0.628879 ] [ 0.146232 0.131703 0.871121 ] [ 0.853768 0.868297 0.128879 ] [ 0.146232 0.368297 0.371121 ] [ 0.651997 0.133011 0.32336 ] [ 0.348003 0.633011 0.17664 ] [ 0.651997 0.366989 0.82336 ] [ 0.348003 0.866989 0.67664 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "As" "As" "As" "As" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.74142658637 "source-unit" "angstrom" } "b" { "source-value" 5.67004381195 "source-unit" "angstrom" } "c" { "source-value" 5.759289495 "source-unit" "angstrom" } "beta" { "source-value" 111.992878008 "source-unit" "degree" } }