{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.174996 ] [ 0.5 0.5 0.825004 ] [ 0 0 0 ] [ 0 0 0.674996 ] [ 0 0 0.325004 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.909562 ] [ 0.5 0 0.090438 ] [ 0 0.5 0.090438 ] [ 0.5 0 0.909562 ] [ 0.5 0 0.409562 ] [ 0 0.5 0.590438 ] [ 0.5 0 0.590438 ] [ 0 0.5 0.409562 ] [ 0 0 0.146223 ] [ 0 0 0.853777 ] [ 0.5 0.5 0.040783 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.959217 ] [ 0.5 0.5 0.646223 ] [ 0.5 0.5 0.353777 ] [ 0 0 0.540783 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0 0 0.459217 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.72872375707 "source-unit" "angstrom" } "c" { "source-value" 28.3369309361 "source-unit" "angstrom" } }