{ "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" [ [ 0.655647 0.953811 0 ] [ 0.953811 0.344353 0 ] [ 0 0 0 ] [ 0.344353 0.046189 0 ] [ 0.046189 0.655647 0 ] [ 0.155647 0.453811 0.5 ] [ 0.453811 0.844353 0.5 ] [ 0.5 0.5 0.5 ] [ 0.844353 0.546189 0.5 ] [ 0.546189 0.155647 0.5 ] [ 0.822201 0.13532 0.5 ] [ 0.13532 0.177799 0.5 ] [ 0.177799 0.86468 0.5 ] [ 0.86468 0.822201 0.5 ] [ 0.322201 0.63532 0 ] [ 0.63532 0.677799 0 ] [ 0.677799 0.36468 0 ] [ 0.36468 0.322201 0 ] ] } "species" { "source-value" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.4374245722 "source-unit" "angstrom" } "c" { "source-value" 3.39353042182 "source-unit" "angstrom" } }