{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.937629 0.700446 0.428454 ] [ 0.870634 0.105244 0.588481 ] [ 0.937629 0.299554 0.928454 ] [ 0.129366 0.894756 0.411519 ] [ 0.062371 0.299554 0.571546 ] [ 0.870634 0.894756 0.088481 ] [ 0.062371 0.700446 0.071546 ] [ 0.129366 0.105244 0.911519 ] [ 0.437629 0.200446 0.428454 ] [ 0.370634 0.605244 0.588481 ] [ 0.437629 0.799554 0.928454 ] [ 0.629366 0.394756 0.411519 ] [ 0.562371 0.799554 0.571546 ] [ 0.370634 0.394756 0.088481 ] [ 0.562371 0.200446 0.071546 ] [ 0.629366 0.605244 0.911519 ] [ 0 0.396564 0.75 ] [ 0.191077 0.200935 0.729959 ] [ 0 0.992124 0.25 ] [ 0 0.007876 0.75 ] [ 0 0.603436 0.25 ] [ 0.808923 0.200935 0.770041 ] [ 0.191077 0.799065 0.229959 ] [ 0.808923 0.799065 0.270041 ] [ 0.5 0.896564 0.75 ] [ 0.691077 0.700935 0.729959 ] [ 0.5 0.492124 0.25 ] [ 0.5 0.507876 0.75 ] [ 0.5 0.103436 0.25 ] [ 0.308923 0.700935 0.770041 ] [ 0.691077 0.299065 0.229959 ] [ 0.308923 0.299065 0.270041 ] ] } "species" { "source-value" [ "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.2806724373 "source-unit" "angstrom" } "b" { "source-value" 10.3085662322 "source-unit" "angstrom" } "c" { "source-value" 6.79726254369 "source-unit" "angstrom" } "beta" { "source-value" 103.933865837 "source-unit" "degree" } }