{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pa3" } "basis-atom-coordinates" { "source-value" [ [ 0.092508 0.75434 0.131413 ] [ 0.092508 0.74566 0.631413 ] [ 0.131413 0.092508 0.75434 ] [ 0.131413 0.407492 0.25434 ] [ 0.25434 0.368587 0.907492 ] [ 0.25434 0.131413 0.407492 ] [ 0.24566 0.868587 0.907492 ] [ 0.24566 0.631413 0.407492 ] [ 0.368587 0.907492 0.25434 ] [ 0.368587 0.592508 0.75434 ] [ 0.407492 0.25434 0.131413 ] [ 0.407492 0.24566 0.631413 ] [ 0.592508 0.75434 0.368587 ] [ 0.592508 0.74566 0.868587 ] [ 0.631413 0.407492 0.24566 ] [ 0.631413 0.092508 0.74566 ] [ 0.75434 0.131413 0.092508 ] [ 0.75434 0.368587 0.592508 ] [ 0.74566 0.631413 0.092508 ] [ 0.74566 0.868587 0.592508 ] [ 0.868587 0.592508 0.74566 ] [ 0.868587 0.907492 0.24566 ] [ 0.907492 0.25434 0.368587 ] [ 0.907492 0.24566 0.868587 ] [ 0.122716 0.122716 0.122716 ] [ 0.122716 0.377284 0.622716 ] [ 0.377284 0.622716 0.122716 ] [ 0.377284 0.877284 0.622716 ] [ 0.622716 0.122716 0.377284 ] [ 0.622716 0.377284 0.877284 ] [ 0.877284 0.622716 0.377284 ] [ 0.877284 0.877284 0.877284 ] [ 0.043637 0.69294 0.437794 ] [ 0.043637 0.80706 0.937794 ] [ 0.062206 0.956363 0.19294 ] [ 0.062206 0.543637 0.69294 ] [ 0.092138 0.209306 0.305929 ] [ 0.092138 0.290694 0.805929 ] [ 0.19294 0.437794 0.456363 ] [ 0.19294 0.062206 0.956363 ] [ 0.194071 0.907862 0.709306 ] [ 0.194071 0.592138 0.209306 ] [ 0.209306 0.305929 0.092138 ] [ 0.209306 0.194071 0.592138 ] [ 0.290694 0.805929 0.092138 ] [ 0.290694 0.694071 0.592138 ] [ 0.305929 0.092138 0.209306 ] [ 0.305929 0.407862 0.709306 ] [ 0.30706 0.562206 0.956363 ] [ 0.30706 0.937794 0.456363 ] [ 0.407862 0.709306 0.305929 ] [ 0.407862 0.790694 0.805929 ] [ 0.437794 0.043637 0.69294 ] [ 0.437794 0.456363 0.19294 ] [ 0.456363 0.19294 0.437794 ] [ 0.456363 0.30706 0.937794 ] [ 0.543637 0.69294 0.062206 ] [ 0.543637 0.80706 0.562206 ] [ 0.562206 0.956363 0.30706 ] [ 0.562206 0.543637 0.80706 ] [ 0.592138 0.209306 0.194071 ] [ 0.592138 0.290694 0.694071 ] [ 0.69294 0.062206 0.543637 ] [ 0.69294 0.437794 0.043637 ] [ 0.694071 0.592138 0.290694 ] [ 0.694071 0.907862 0.790694 ] [ 0.709306 0.305929 0.407862 ] [ 0.709306 0.194071 0.907862 ] [ 0.790694 0.694071 0.907862 ] [ 0.790694 0.805929 0.407862 ] [ 0.805929 0.092138 0.290694 ] [ 0.805929 0.407862 0.790694 ] [ 0.80706 0.562206 0.543637 ] [ 0.80706 0.937794 0.043637 ] [ 0.907862 0.709306 0.194071 ] [ 0.907862 0.790694 0.694071 ] [ 0.937794 0.043637 0.80706 ] [ 0.937794 0.456363 0.30706 ] [ 0.956363 0.19294 0.062206 ] [ 0.956363 0.30706 0.562206 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "W" "W" "W" "W" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 9.9605485 "source-unit" "angstrom" } }