{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.665274 0.165274 0.51039 ] [ 0.834726 0.665274 0.48961 ] [ 0.165274 0.334726 0.48961 ] [ 0.334726 0.834726 0.51039 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.863222 0.363222 0.954886 ] [ 0.136778 0.636778 0.954886 ] [ 0.636778 0.863222 0.045114 ] [ 0.363222 0.136778 0.045114 ] [ 0.694644 0.422341 0.822803 ] [ 0.305356 0.577659 0.822803 ] [ 0.422341 0.305356 0.177197 ] [ 0.577659 0.694644 0.177197 ] [ 0.922341 0.194644 0.822803 ] [ 0.805356 0.922341 0.177197 ] [ 0.194644 0.077659 0.177197 ] [ 0.077659 0.805356 0.822803 ] [ 0.860042 0.360042 0.250557 ] [ 0.639958 0.860042 0.749443 ] [ 0.5 0 0.141049 ] [ 0 0.5 0.858951 ] [ 0.139958 0.639958 0.250557 ] [ 0.360042 0.139958 0.749443 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Mg" "Mg" "Si" "Si" "Si" "Si" "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" 8.30788294 "source-unit" "angstrom" } "c" { "source-value" 5.48856692 "source-unit" "angstrom" } }