{ "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 0.144262 ] [ 0.5 0.5 0.855738 ] [ 0 0 0.644262 ] [ 0 0 0.355738 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0 0.842154 ] [ 0 0 0.157846 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.342154 ] [ 0.5 0.5 0.657846 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Co" "Co" "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" 3.81155246113 "source-unit" "angstrom" } "c" { "source-value" 12.6879782857 "source-unit" "angstrom" } }