{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.694347 0.780934 0 ] [ 0.219066 0.694347 0 ] [ 0.780934 0.305653 0 ] [ 0.305653 0.219066 0 ] [ 0.5 0.5 0.760517 ] [ 0.5 0.5 0.239483 ] [ 0.194347 0.280934 0.5 ] [ 0.719066 0.194347 0.5 ] [ 0.280934 0.805653 0.5 ] [ 0.805653 0.719066 0.5 ] [ 0 0 0.260517 ] [ 0 0 0.739483 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Co" "Co" "Re" "Re" "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" 5.6213571755 "source-unit" "angstrom" } "c" { "source-value" 8.06050765764 "source-unit" "angstrom" } }