{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.240477 0.75 0.076771 ] [ 0.777363 0.999521 0.268258 ] [ 0.777363 0.500479 0.268258 ] [ 0.222637 0.499521 0.731742 ] [ 0.222637 0.000479 0.731742 ] [ 0.759523 0.25 0.923229 ] [ 0.277488 0.25 0.356425 ] [ 0.722512 0.75 0.643575 ] [ 0.320576 0.75 0.403458 ] [ 0.679424 0.25 0.596542 ] [ 0.273431 0.25 0.056791 ] [ 0.726569 0.75 0.943209 ] [ 0.767583 0.75 0.067703 ] [ 0.104823 0.25 0.131665 ] [ 0.475223 0.25 0.110642 ] [ 0.243864 0.921794 0.318426 ] [ 0.243864 0.578206 0.318426 ] [ 0.583032 0.75 0.419329 ] [ 0.773638 0.25 0.46367 ] [ 0.226362 0.75 0.53633 ] [ 0.416968 0.25 0.580671 ] [ 0.756136 0.421794 0.681574 ] [ 0.756136 0.078206 0.681574 ] [ 0.524777 0.75 0.889358 ] [ 0.895177 0.75 0.868335 ] [ 0.232417 0.25 0.932297 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "Bi" "Bi" "P" "P" "C" "C" "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" 6.04563183 "source-unit" "angstrom" } "b" { "source-value" 7.25700096 "source-unit" "angstrom" } "c" { "source-value" 10.3414062 "source-unit" "angstrom" } "beta" { "source-value" 94.55812959 "source-unit" "degree" } }