{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.874562 0.252059 0.999825 ] [ 0.125438 0.747941 0.000175 ] [ 0.745294 0.036096 0.875038 ] [ 0.254706 0.963904 0.124962 ] [ 0.076766 0.086992 0.69364 ] [ 0.923234 0.913008 0.30636 ] [ 0.575799 0.643735 0.784916 ] [ 0.424201 0.356265 0.215084 ] [ 0.839873 0.522214 0.214405 ] [ 0.160127 0.477786 0.785595 ] ] } "species" { "source-value" [ "Nb" "Nb" "Se" "Se" "Se" "Se" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.81832933459 "source-unit" "angstrom" } "b" { "source-value" 6.82909838904 "source-unit" "angstrom" } "c" { "source-value" 7.9212104584 "source-unit" "angstrom" } "alpha" { "source-value" 68.4548381547 "source-unit" "degree" } "beta" { "source-value" 68.5490096845 "source-unit" "degree" } "gamma" { "source-value" 60.0925195337 "source-unit" "degree" } }