{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nbm" } "basis-atom-coordinates" { "source-value" [ [ 0.351199 0.148801 0.169548 ] [ 0.148801 0.351199 0.830452 ] [ 0.648801 0.148801 0.830452 ] [ 0.351199 0.851199 0.830452 ] [ 0.648801 0.851199 0.169548 ] [ 0.851199 0.648801 0.830452 ] [ 0.148801 0.648801 0.169548 ] [ 0.851199 0.351199 0.169548 ] [ 0 0.311361 0 ] [ 0.75 0.75 0 ] [ 0.188639 0.5 0 ] [ 0.311361 0 0 ] [ 0.25 0.25 0.5 ] [ 0.688639 0 0 ] [ 0.75 0.25 0.5 ] [ 0 0.688639 0 ] [ 0.75 0.75 0.5 ] [ 0.5 0.811361 0 ] [ 0.25 0.75 0.5 ] [ 0.811361 0.5 0 ] [ 0.75 0.25 0 ] [ 0.5 0.188639 0 ] [ 0.25 0.25 0 ] [ 0.25 0.75 0 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" 9.71563899 "source-unit" "angstrom" } "c" { "source-value" 4.23803876 "source-unit" "angstrom" } }