{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mnc" } "basis-atom-coordinates" { "source-value" [ [ 0.193734 0.331752 0 ] [ 0.668248 0.193734 0 ] [ 0.331752 0.806266 0 ] [ 0.693734 0.168248 0.5 ] [ 0.306266 0.831752 0.5 ] [ 0.806266 0.668248 0 ] [ 0.831752 0.693734 0.5 ] [ 0.168248 0.306266 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.174689 0.039361 0.232291 ] [ 0.960639 0.174689 0.232291 ] [ 0.039361 0.825311 0.232291 ] [ 0.674689 0.460639 0.267709 ] [ 0.325311 0.539361 0.267709 ] [ 0.825311 0.960639 0.232291 ] [ 0.539361 0.674689 0.267709 ] [ 0.460639 0.325311 0.267709 ] [ 0.825311 0.960639 0.767709 ] [ 0.039361 0.825311 0.767709 ] [ 0.960639 0.174689 0.767709 ] [ 0.325311 0.539361 0.732291 ] [ 0.674689 0.460639 0.732291 ] [ 0.174689 0.039361 0.767709 ] [ 0.460639 0.325311 0.732291 ] [ 0.539361 0.674689 0.732291 ] [ 0.089279 0.589279 0.25 ] [ 0.410721 0.089279 0.25 ] [ 0.589279 0.910721 0.25 ] [ 0.910721 0.410721 0.25 ] [ 0.910721 0.410721 0.75 ] [ 0.589279 0.910721 0.75 ] [ 0.410721 0.089279 0.75 ] [ 0.089279 0.589279 0.75 ] [ 0 0 0.38885 ] [ 0.5 0.5 0.11115 ] [ 0 0 0.61115 ] [ 0.5 0.5 0.88885 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ni" "Ni" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.21023839 "source-unit" "angstrom" } "c" { "source-value" 7.47217962 "source-unit" "angstrom" } }