{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibmm" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.5 0.617012 ] [ 0.75 0.25 0.75 ] [ 0.75 0.75 0.75 ] [ 0.25 0 0.882988 ] [ 0.75 0 0.117012 ] [ 0.25 0.75 0.25 ] [ 0.25 0.25 0.25 ] [ 0.75 0.5 0.382988 ] [ 0 0 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.75 0.260779 0.985303 ] [ 0.025846 0 0.250163 ] [ 0.25 0.239221 0.485303 ] [ 0.974154 0.5 0.750163 ] [ 0.525846 0 0.749837 ] [ 0.25 0.260779 0.014697 ] [ 0.474154 0.5 0.249837 ] [ 0.75 0.239221 0.514697 ] [ 0.25 0.760779 0.485303 ] [ 0.525846 0.5 0.750163 ] [ 0.75 0.739221 0.985303 ] [ 0.474154 0 0.250163 ] [ 0.025846 0.5 0.249837 ] [ 0.75 0.760779 0.514697 ] [ 0.974154 0 0.749837 ] [ 0.25 0.739221 0.014697 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Ni" "Ni" "Ni" "Ni" "O" "O" "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" 5.81482425762 "source-unit" "angstrom" } "b" { "source-value" 5.82253218333 "source-unit" "angstrom" } "c" { "source-value" 8.15339798998 "source-unit" "angstrom" } }