{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4" } "basis-atom-coordinates" { "source-value" [ [ 0.120104 0.337883 0.70856 ] [ 0.337883 0.879896 0.70856 ] [ 0.162117 0.620104 0.20856 ] [ 0.379896 0.162117 0.20856 ] [ 0.620104 0.837883 0.20856 ] [ 0.837883 0.379896 0.20856 ] [ 0.662117 0.120104 0.70856 ] [ 0.879896 0.662117 0.70856 ] [ 0 0 0.426408 ] [ 0.5 0.5 0.926408 ] [ 0 0 0.006747 ] [ 0.5 0.5 0.506747 ] [ 0 0.5 0.238845 ] [ 0.5 0 0.238845 ] [ 0.102428 0.221655 0.865728 ] [ 0.221655 0.897572 0.865728 ] [ 0.778345 0.102428 0.865728 ] [ 0.897572 0.778345 0.865728 ] [ 0.93129 0.752167 0.546345 ] [ 0.252167 0.56871 0.046345 ] [ 0.747833 0.43129 0.046345 ] [ 0.06871 0.247833 0.546345 ] [ 0.198281 0.101913 0.19233 ] [ 0.101913 0.801719 0.19233 ] [ 0.898087 0.198281 0.19233 ] [ 0.801719 0.898087 0.19233 ] [ 0.5 0 0.738845 ] [ 0 0.5 0.738845 ] [ 0.602428 0.721655 0.365728 ] [ 0.721655 0.397572 0.365728 ] [ 0.278345 0.602428 0.365728 ] [ 0.397572 0.278345 0.365728 ] [ 0.43129 0.252167 0.046345 ] [ 0.752167 0.06871 0.546345 ] [ 0.247833 0.93129 0.546345 ] [ 0.56871 0.747833 0.046345 ] [ 0.698281 0.601913 0.69233 ] [ 0.601913 0.301719 0.69233 ] [ 0.398087 0.698281 0.69233 ] [ 0.301719 0.398087 0.69233 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Ag" "Ag" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.63527158793 "source-unit" "angstrom" } "c" { "source-value" 8.29483831006 "source-unit" "angstrom" } }