{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.25 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.75 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.756619 ] [ 0.696884 0.210342 0.017385 ] [ 0.210342 0.303116 0.982615 ] [ 0.5 0.5 0.243381 ] [ 0.789658 0.696884 0.982615 ] [ 0.303116 0.789658 0.017385 ] [ 0 0 0.256619 ] [ 0.196884 0.710342 0.517385 ] [ 0.710342 0.803116 0.482615 ] [ 0 0 0.743381 ] [ 0.289658 0.196884 0.482615 ] [ 0.803116 0.289658 0.517385 ] ] } "species" { "source-value" [ "Ba" "Ba" "La" "La" "Mg" "Mg" "Ru" "Ru" "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" 5.66475137581 "source-unit" "angstrom" } "c" { "source-value" 8.14984013419 "source-unit" "angstrom" } }