{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.296079 0.203921 0 ] [ 0.203921 0.703921 0 ] [ 0.796079 0.296079 0 ] [ 0.703921 0.796079 0 ] [ 0.450607 0.730548 0.5 ] [ 0.049393 0.230548 0.5 ] [ 0.950607 0.769452 0.5 ] [ 0.549393 0.269452 0.5 ] [ 0.269452 0.450607 0.5 ] [ 0.769452 0.049393 0.5 ] [ 0.730548 0.549393 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.230548 0.950607 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.496704 0.171533 0 ] [ 0.391247 0.622202 0 ] [ 0.828467 0.496704 0 ] [ 0.877798 0.108753 0 ] [ 0.171533 0.503296 0 ] [ 0.288248 0.788248 0.5 ] [ 0.211752 0.288248 0.5 ] [ 0.671533 0.996704 0 ] [ 0.891247 0.877798 0 ] [ 0.788248 0.711752 0.5 ] [ 0.503296 0.828467 0 ] [ 0.608753 0.377798 0 ] [ 0.122202 0.891247 0 ] [ 0 0.5 0.5 ] [ 0.377798 0.391247 0 ] [ 0.003296 0.671533 0 ] [ 0.996704 0.328467 0 ] [ 0.711752 0.211752 0.5 ] [ 0.108753 0.122202 0 ] [ 0.5 0 0.5 ] [ 0.328467 0.003296 0 ] [ 0.622202 0.608753 0 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Au" "Au" "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" 12.49570468 "source-unit" "angstrom" } "c" { "source-value" 3.91805048 "source-unit" "angstrom" } }