{ "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" [ [ 0.186615 0 0.638523 ] [ 0.813385 0 0.361477 ] [ 0.686615 0.5 0.638523 ] [ 0.313385 0.5 0.361477 ] [ 0 0.248507 0 ] [ 0 0.751493 0 ] [ 0.5 0.748507 0 ] [ 0.5 0.251493 0 ] [ 0.964341 0.5 0.707326 ] [ 0.035659 0.5 0.292674 ] [ 0.835407 0 0.911868 ] [ 0.164593 0 0.088132 ] [ 0.464341 0 0.707326 ] [ 0.535659 0 0.292674 ] [ 0.335407 0.5 0.911868 ] [ 0.664593 0.5 0.088132 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Fe" "Fe" "Fe" "Fe" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.82394373 "source-unit" "angstrom" } "b" { "source-value" 5.49649274 "source-unit" "angstrom" } "c" { "source-value" 6.94504738 "source-unit" "angstrom" } "beta" { "source-value" 118.57669509 "source-unit" "degree" } }