{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0 0.524805 0.75 ] [ 0 0.475195 0.25 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.024805 0.75 ] [ 0.5 0.975195 0.25 ] [ 0 0.191452 0.25 ] [ 0.305636 0 0 ] [ 0.305636 0 0.5 ] [ 0.694364 0 0 ] [ 0.694364 0 0.5 ] [ 0 0.808548 0.75 ] [ 0.5 0.691452 0.25 ] [ 0.805636 0.5 0 ] [ 0.805636 0.5 0.5 ] [ 0.194364 0.5 0 ] [ 0.194364 0.5 0.5 ] [ 0.5 0.308548 0.75 ] [ 0 0.219638 0.75 ] [ 0 0.780362 0.25 ] [ 0.5 0.719638 0.75 ] [ 0.5 0.280362 0.25 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.04076149 "source-unit" "angstrom" } "b" { "source-value" 6.30339913 "source-unit" "angstrom" } "c" { "source-value" 5.91556274 "source-unit" "angstrom" } }