{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0.906266 0.466149 0.758063 ] [ 0.093734 0.533851 0.241937 ] [ 0.027072 0.670772 0.664256 ] [ 0.972928 0.329228 0.335744 ] [ 0.572808 0.877908 0.231562 ] [ 0.427192 0.122092 0.768438 ] [ 0.678714 0.822794 0.041154 ] [ 0.321286 0.177206 0.958846 ] [ 0.221169 0.813619 0.155491 ] [ 0.778831 0.186381 0.844509 ] [ 0.703229 0.16145 0.369861 ] [ 0.296771 0.83855 0.630139 ] [ 0.668655 0.665832 0.346686 ] [ 0.331345 0.334168 0.653314 ] [ 0.132787 0.393641 0.295773 ] [ 0.867213 0.606359 0.704227 ] ] } "species" { "source-value" [ "Cu" "Cu" "H" "H" "H" "H" "Se" "Se" "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" 5.18170039437 "source-unit" "angstrom" } "b" { "source-value" 5.68607927027 "source-unit" "angstrom" } "c" { "source-value" 7.66367373581 "source-unit" "angstrom" } "alpha" { "source-value" 101.456853685 "source-unit" "degree" } "beta" { "source-value" 106.576269197 "source-unit" "degree" } "gamma" { "source-value" 98.7238207376 "source-unit" "degree" } }