{ "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 0 0 ] [ 0.5 0.5 0.5 ] [ 0.316351 0.989154 0.824445 ] [ 0.683649 0.010846 0.824445 ] [ 0.683649 0.989154 0.175555 ] [ 0.316351 0.010846 0.175555 ] [ 0.010846 0.824445 0.683649 ] [ 0.989154 0.175555 0.683649 ] [ 0.989154 0.824445 0.316351 ] [ 0.010846 0.175555 0.316351 ] [ 0.175555 0.683649 0.989154 ] [ 0.824445 0.316351 0.989154 ] [ 0.824445 0.683649 0.010846 ] [ 0.175555 0.316351 0.010846 ] [ 0.816351 0.489154 0.324445 ] [ 0.183649 0.510846 0.324445 ] [ 0.183649 0.489154 0.675555 ] [ 0.816351 0.510846 0.675555 ] [ 0.510846 0.324445 0.183649 ] [ 0.489154 0.675555 0.183649 ] [ 0.489154 0.324445 0.816351 ] [ 0.510846 0.675555 0.816351 ] [ 0.675555 0.183649 0.489154 ] [ 0.324445 0.816351 0.489154 ] [ 0.324445 0.183649 0.510846 ] [ 0.675555 0.816351 0.510846 ] [ 0.487885 0.868847 0.748948 ] [ 0.012115 0.631153 0.248948 ] [ 0.012115 0.368847 0.751052 ] [ 0.487885 0.131153 0.251052 ] [ 0.89323 0.10677 0.10677 ] [ 0.10677 0.89323 0.10677 ] [ 0.10677 0.10677 0.89323 ] [ 0.89323 0.89323 0.89323 ] [ 0.191885 0.808115 0.808115 ] [ 0.808115 0.191885 0.808115 ] [ 0.808115 0.808115 0.191885 ] [ 0.191885 0.191885 0.191885 ] [ 0.251052 0.487885 0.131153 ] [ 0.131153 0.251052 0.487885 ] [ 0.868847 0.748948 0.487885 ] [ 0.368847 0.751052 0.012115 ] [ 0.631153 0.248948 0.012115 ] [ 0.751052 0.012115 0.368847 ] [ 0.748948 0.487885 0.868847 ] [ 0.248948 0.012115 0.631153 ] [ 0.987885 0.368847 0.248948 ] [ 0.512115 0.131153 0.748948 ] [ 0.512115 0.868847 0.251052 ] [ 0.987885 0.631153 0.751052 ] [ 0.39323 0.60677 0.60677 ] [ 0.60677 0.39323 0.60677 ] [ 0.60677 0.60677 0.39323 ] [ 0.39323 0.39323 0.39323 ] [ 0.691885 0.308115 0.308115 ] [ 0.308115 0.691885 0.308115 ] [ 0.308115 0.308115 0.691885 ] [ 0.691885 0.691885 0.691885 ] [ 0.751052 0.987885 0.631153 ] [ 0.631153 0.751052 0.987885 ] [ 0.368847 0.248948 0.987885 ] [ 0.868847 0.251052 0.512115 ] [ 0.131153 0.748948 0.512115 ] [ 0.251052 0.512115 0.868847 ] [ 0.248948 0.987885 0.368847 ] [ 0.748948 0.512115 0.131153 ] ] } "species" { "source-value" [ "Ga" "Ga" "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" "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" 10.2404534841 "source-unit" "angstrom" } }