{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.880092 0.188811 0.5 ] [ 0.811189 0.880092 0.5 ] [ 0.188811 0.119908 0.5 ] [ 0.119908 0.811189 0.5 ] [ 0.5 0.5 0.5 ] [ 0.380092 0.688811 0 ] [ 0.311189 0.380092 0 ] [ 0.688811 0.619908 0 ] [ 0.619908 0.311189 0 ] [ 0.285013 0.939509 0 ] [ 0.060491 0.285013 0 ] [ 0.939509 0.714987 0 ] [ 0.714987 0.060491 0 ] [ 0.785013 0.439509 0.5 ] [ 0.560491 0.785013 0.5 ] [ 0.439509 0.214987 0.5 ] [ 0.214987 0.560491 0.5 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.4363435035 "source-unit" "angstrom" } "c" { "source-value" 3.68959884098 "source-unit" "angstrom" } }