{ "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" [ [ 0.765544 0.25 0.067279 ] [ 0.248319 0.007565 0.241085 ] [ 0.248319 0.492435 0.241085 ] [ 0.751681 0.507565 0.758915 ] [ 0.751681 0.992435 0.758915 ] [ 0.234456 0.75 0.932721 ] [ 0.731921 0.75 0.062746 ] [ 0.268079 0.25 0.937254 ] [ 0.775037 0.75 0.335338 ] [ 0.224963 0.25 0.664662 ] [ 0.716611 0.25 0.401744 ] [ 0.283389 0.75 0.598256 ] [ 0.271733 0.25 0.076475 ] [ 0.954649 0.75 0.149696 ] [ 0.525751 0.75 0.144973 ] [ 0.823023 0.063165 0.303695 ] [ 0.823023 0.436835 0.303695 ] [ 0.408722 0.25 0.395108 ] [ 0.175448 0.75 0.423641 ] [ 0.824552 0.25 0.576359 ] [ 0.591278 0.75 0.604892 ] [ 0.176977 0.563165 0.696305 ] [ 0.176977 0.936835 0.696305 ] [ 0.474249 0.25 0.855027 ] [ 0.045351 0.25 0.850304 ] [ 0.728267 0.75 0.923525 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "B" "B" "Sb" "Sb" "As" "As" "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" 5.50184186 "source-unit" "angstrom" } "b" { "source-value" 7.10855537 "source-unit" "angstrom" } "c" { "source-value" 9.55391508 "source-unit" "angstrom" } "beta" { "source-value" 93.17999919 "source-unit" "degree" } }