{ "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" [ [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0.761344 0.351199 0.669318 ] [ 0.761344 0.851199 0.580682 ] [ 0.351199 0.738656 0.919318 ] [ 0.851199 0.738656 0.830682 ] [ 0.148801 0.261344 0.830682 ] [ 0.648801 0.261344 0.919318 ] [ 0.238656 0.148801 0.580682 ] [ 0.238656 0.648801 0.669318 ] [ 0.261344 0.851199 0.169318 ] [ 0.261344 0.351199 0.080682 ] [ 0.851199 0.238656 0.419318 ] [ 0.351199 0.238656 0.330682 ] [ 0.648801 0.761344 0.330682 ] [ 0.148801 0.761344 0.419318 ] [ 0.738656 0.648801 0.080682 ] [ 0.738656 0.148801 0.169318 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ru" "Ru" "Ru" "Ru" "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" 5.28116532 "source-unit" "angstrom" } "c" { "source-value" 11.93535336 "source-unit" "angstrom" } }