{ "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 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.226326 ] [ 0.199899 0.687761 0 ] [ 0.5 0.5 0.773674 ] [ 0.800101 0.312239 0 ] [ 0.312239 0.199899 0 ] [ 0.687761 0.800101 0 ] [ 0 0 0.726326 ] [ 0.699899 0.187761 0.5 ] [ 0 0 0.273674 ] [ 0.300101 0.812239 0.5 ] [ 0.812239 0.699899 0.5 ] [ 0.187761 0.300101 0.5 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Cu" "Cu" "Os" "Os" "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" 5.43594060685 "source-unit" "angstrom" } "c" { "source-value" 8.65282053224 "source-unit" "angstrom" } }