{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.053683 0.520084 0.778648 ] [ 0.946317 0.020084 0.721352 ] [ 0.946317 0.479916 0.221352 ] [ 0.053683 0.979916 0.278648 ] [ 0.276586 0.502542 0.603982 ] [ 0.723414 0.002542 0.896018 ] [ 0.723414 0.497458 0.396018 ] [ 0.276586 0.997458 0.103982 ] [ 0.682577 0.500872 0.89833 ] [ 0.317423 0.000872 0.60167 ] [ 0.317423 0.499128 0.10167 ] [ 0.682577 0.999128 0.39833 ] [ 0.335427 0.140539 0.918142 ] [ 0.664573 0.640539 0.581858 ] [ 0.664573 0.859461 0.081858 ] [ 0.335427 0.359461 0.418142 ] [ 0.657465 0.297216 0.574849 ] [ 0.342535 0.797216 0.925151 ] [ 0.342535 0.702784 0.425151 ] [ 0.657465 0.202784 0.074849 ] [ 0.655589 0.743925 0.731207 ] [ 0.344411 0.243925 0.768793 ] [ 0.344411 0.256075 0.268793 ] [ 0.655589 0.756075 0.231207 ] [ 0.045006 0.259291 0.926284 ] [ 0.954994 0.759291 0.573716 ] [ 0.954994 0.740709 0.073716 ] [ 0.045006 0.240709 0.426284 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Al" "Al" "Al" "Al" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.128633 "source-unit" "angstrom" } "b" { "source-value" 7.83541316 "source-unit" "angstrom" } "c" { "source-value" 16.32001389 "source-unit" "angstrom" } "beta" { "source-value" 119.5749901 "source-unit" "degree" } }