{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.501745 0.25 0.773142 ] [ 0.998255 0.25 0.273142 ] [ 0.498255 0.75 0.226858 ] [ 0.001745 0.75 0.726858 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0.926717 0.75 0.406814 ] [ 0.426717 0.25 0.093186 ] [ 0.073283 0.25 0.593186 ] [ 0.573283 0.75 0.906814 ] [ 0.220862 0.467568 0.661561 ] [ 0.720862 0.532432 0.838439 ] [ 0.779138 0.967568 0.338439 ] [ 0.279138 0.032432 0.161561 ] [ 0.779138 0.532432 0.338439 ] [ 0.279138 0.467568 0.161561 ] [ 0.220862 0.032432 0.661561 ] [ 0.720862 0.967568 0.838439 ] [ 0.714254 0.75 0.054314 ] [ 0.214254 0.25 0.445686 ] [ 0.285746 0.25 0.945686 ] [ 0.785746 0.75 0.554314 ] [ 0.233174 0.75 0.907172 ] [ 0.733174 0.25 0.592828 ] [ 0.266826 0.75 0.407172 ] [ 0.766826 0.25 0.092828 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Si" "Si" "Si" "Si" "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" 4.83325721 "source-unit" "angstrom" } "b" { "source-value" 6.06399034 "source-unit" "angstrom" } "c" { "source-value" 10.36997825 "source-unit" "angstrom" } }