{ "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" [ [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0.208468 0.407482 0.104621 ] [ 0.791532 0.592518 0.895379 ] [ 0.617822 0.140583 0.357788 ] [ 0.45686 0.243463 0.476336 ] [ 0.54314 0.756537 0.523664 ] [ 0.382178 0.859417 0.642212 ] [ 0.866023 0.818653 0.260887 ] [ 0.133977 0.181347 0.739113 ] [ 0.165087 0.692042 0.01155 ] [ 0.268044 0.160852 0.10531 ] [ 0.635669 0.586334 0.130007 ] [ 0.669597 0.979424 0.224137 ] [ 0.146627 0.462104 0.2877 ] [ 0.636022 0.25639 0.435436 ] [ 0.801077 0.73159 0.432782 ] [ 0.198923 0.26841 0.567218 ] [ 0.363978 0.74361 0.564564 ] [ 0.853373 0.537896 0.7123 ] [ 0.330403 0.020576 0.775863 ] [ 0.364331 0.413666 0.869993 ] [ 0.731956 0.839148 0.89469 ] [ 0.834913 0.307958 0.98845 ] ] } "species" { "source-value" [ "Co" "Co" "Mo" "Mo" "H" "H" "H" "H" "Se" "Se" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.03920332 "source-unit" "angstrom" } "b" { "source-value" 6.6955052 "source-unit" "angstrom" } "c" { "source-value" 8.94114593 "source-unit" "angstrom" } "alpha" { "source-value" 91.89499883 "source-unit" "degree" } "beta" { "source-value" 97.56973147 "source-unit" "degree" } "gamma" { "source-value" 110.06874385 "source-unit" "degree" } }