{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.832182 ] [ 0 0 0.332182 ] [ 0.5 0.5 0.167818 ] [ 0 0 0.667818 ] [ 0.698578 0.698578 0.672913 ] [ 0.301422 0.301422 0.672913 ] [ 0.698578 0.698578 0.327087 ] [ 0.198578 0.801422 0.172913 ] [ 0.801422 0.198578 0.172913 ] [ 0.801422 0.198578 0.827087 ] [ 0.311638 0.311638 0 ] [ 0.188362 0.811638 0.5 ] [ 0.811638 0.188362 0.5 ] [ 0.688362 0.688362 0 ] [ 0.301422 0.301422 0.327087 ] [ 0.198578 0.801422 0.827087 ] ] } "species" { "source-value" [ "Zn" "Zn" "Sb" "Sb" "Sb" "Sb" "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" 4.75115792 "source-unit" "angstrom" } "c" { "source-value" 9.42056336 "source-unit" "angstrom" } }