{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.675252 0.824748 0 ] [ 0.824748 0.324748 0 ] [ 0.175252 0.675252 0 ] [ 0.324748 0.175252 0 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.374297 0.874297 0 ] [ 0.125703 0.374297 0 ] [ 0.874297 0.625703 0 ] [ 0.625703 0.125703 0 ] [ 0.5 0 0.5 ] [ 0.5718 0.290574 0.5 ] [ 0.709426 0.5718 0.5 ] [ 0.290574 0.4282 0.5 ] [ 0.209426 0.9282 0.5 ] [ 0 0.5 0.5 ] [ 0.0718 0.209426 0.5 ] [ 0.790574 0.0718 0.5 ] [ 0.9282 0.790574 0.5 ] [ 0.4282 0.709426 0.5 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Si" "Si" "B" "B" "B" "B" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" "Ir" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.4188846 "source-unit" "angstrom" } "c" { "source-value" 2.91488062 "source-unit" "angstrom" } }