{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I23" } "basis-atom-coordinates" { "source-value" [ [ 0.937364 0.344474 0.852226 ] [ 0.655526 0.852226 0.062636 ] [ 0.852226 0.062636 0.655526 ] [ 0.147774 0.062636 0.344474 ] [ 0.147774 0.937364 0.655526 ] [ 0.062636 0.344474 0.147774 ] [ 0.344474 0.852226 0.937364 ] [ 0.852226 0.937364 0.344474 ] [ 0.062636 0.655526 0.852226 ] [ 0.344474 0.147774 0.062636 ] [ 0.937364 0.655526 0.147774 ] [ 0.655526 0.147774 0.937364 ] [ 0.437364 0.844474 0.352226 ] [ 0.155526 0.352226 0.562636 ] [ 0.352226 0.562636 0.155526 ] [ 0.647774 0.562636 0.844474 ] [ 0.647774 0.437364 0.155526 ] [ 0.562636 0.844474 0.647774 ] [ 0.844474 0.352226 0.437364 ] [ 0.352226 0.437364 0.844474 ] [ 0.562636 0.155526 0.352226 ] [ 0.844474 0.647774 0.562636 ] [ 0.437364 0.155526 0.647774 ] [ 0.155526 0.647774 0.437364 ] [ 0.231066 0 0 ] [ 0.580704 0.25072 0.179073 ] [ 0.820927 0.580704 0.74928 ] [ 0 0 0.231066 ] [ 0.768934 0 0 ] [ 0.179073 0.580704 0.25072 ] [ 0 0.768934 0 ] [ 0.25072 0.179073 0.580704 ] [ 0.320927 0.919296 0.75072 ] [ 0.679073 0.919296 0.24928 ] [ 0.919296 0.75072 0.320927 ] [ 0.919296 0.24928 0.679073 ] [ 0 0 0.768934 ] [ 0 0.231066 0 ] [ 0.24928 0.679073 0.919296 ] [ 0.75072 0.320927 0.919296 ] [ 0.580704 0.74928 0.820927 ] [ 0.74928 0.820927 0.580704 ] [ 0.731066 0.5 0.5 ] [ 0.080704 0.75072 0.679073 ] [ 0.320927 0.080704 0.24928 ] [ 0.5 0.5 0.731066 ] [ 0.268934 0.5 0.5 ] [ 0.679073 0.080704 0.75072 ] [ 0.5 0.268934 0.5 ] [ 0.75072 0.679073 0.080704 ] [ 0.820927 0.419296 0.25072 ] [ 0.179073 0.419296 0.74928 ] [ 0.419296 0.25072 0.820927 ] [ 0.419296 0.74928 0.179073 ] [ 0.5 0.5 0.268934 ] [ 0.5 0.731066 0.5 ] [ 0.74928 0.179073 0.419296 ] [ 0.25072 0.820927 0.419296 ] [ 0.080704 0.24928 0.320927 ] [ 0.24928 0.320927 0.080704 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 10.8335817053 "source-unit" "angstrom" } }