{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/a" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0.32738 0.733353 0.831388 ] [ 0.733353 0.17262 0.081388 ] [ 0.266647 0.82738 0.081388 ] [ 0.67262 0.266647 0.831388 ] [ 0.82738 0.733353 0.918612 ] [ 0.233353 0.17262 0.668612 ] [ 0.766647 0.82738 0.668612 ] [ 0.17262 0.266647 0.918612 ] [ 0.82738 0.233353 0.331388 ] [ 0.233353 0.67262 0.581388 ] [ 0.766647 0.32738 0.581388 ] [ 0.17262 0.766647 0.331388 ] [ 0.32738 0.233353 0.418612 ] [ 0.733353 0.67262 0.168612 ] [ 0.266647 0.32738 0.168612 ] [ 0.67262 0.766647 0.418612 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Ge" "Ge" "Ge" "Ge" "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" 4.92622502 "source-unit" "angstrom" } "c" { "source-value" 10.732324 "source-unit" "angstrom" } }