{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.332893 0.832893 0.508649 ] [ 0.167107 0.332893 0.491351 ] [ 0.832893 0.667107 0.491351 ] [ 0.667107 0.167107 0.508649 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.144889 0.644889 0.943254 ] [ 0.355111 0.144889 0.056746 ] [ 0.644889 0.855111 0.056746 ] [ 0.855111 0.355111 0.943254 ] [ 0.6735 0.412837 0.774363 ] [ 0.3265 0.587163 0.774363 ] [ 0.412837 0.3265 0.225637 ] [ 0.587163 0.6735 0.225637 ] [ 0.912837 0.1735 0.774363 ] [ 0.8265 0.912837 0.225637 ] [ 0.1735 0.087163 0.225637 ] [ 0.087163 0.8265 0.774363 ] [ 0.860035 0.360035 0.275332 ] [ 0.639965 0.860035 0.724668 ] [ 0.5 0 0.204222 ] [ 0 0.5 0.795778 ] [ 0.139965 0.639965 0.275332 ] [ 0.360035 0.139965 0.724668 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Zn" "Zn" "Ge" "Ge" "Ge" "Ge" "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" 8.06421844 "source-unit" "angstrom" } "c" { "source-value" 5.22891172 "source-unit" "angstrom" } }