{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.183906 ] [ 0.5 0 0.816094 ] [ 0 0.5 0.412374 ] [ 0.5 0 0.587627 ] [ 0.5 0 0.306157 ] [ 0 0.5 0.693843 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0.5 0.90971 ] [ 0.5 0 0.09029 ] [ 0 0.5 0.569981 ] [ 0.5 0 0.430019 ] [ 0.5 0.5 0.712506 ] [ 0.5 0.5 0.287494 ] [ 0 0 0.287494 ] [ 0 0 0.712506 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Cr" "Cr" "Cu" "Cu" "S" "S" "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" 3.95190581 "source-unit" "angstrom" } "c" { "source-value" 15.51337616 "source-unit" "angstrom" } }