{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.848179 0.283777 ] [ 0.25 0.151821 0.716223 ] [ 0.75 0.348179 0.216223 ] [ 0.25 0.651821 0.783777 ] [ 0 0 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.75 0.622677 0.866937 ] [ 0.25 0.377323 0.133063 ] [ 0.75 0.122677 0.633063 ] [ 0.25 0.877323 0.366937 ] [ 0.75 0.596439 0.356994 ] [ 0.25 0.403561 0.643006 ] [ 0.75 0.096439 0.143006 ] [ 0.25 0.903561 0.856994 ] [ 0.75 0.793715 0.989368 ] [ 0.25 0.206285 0.010632 ] [ 0.75 0.293715 0.510632 ] [ 0.25 0.706285 0.489368 ] [ 0.75 0.95017 0.521963 ] [ 0.25 0.04983 0.478037 ] [ 0.75 0.45017 0.978037 ] [ 0.25 0.54983 0.021963 ] [ 0.940802 0.630047 0.742674 ] [ 0.440802 0.369953 0.257326 ] [ 0.559198 0.130047 0.757326 ] [ 0.059198 0.869953 0.242674 ] [ 0.059198 0.369953 0.257326 ] [ 0.559198 0.630047 0.742674 ] [ 0.440802 0.869953 0.242674 ] [ 0.940802 0.130047 0.757326 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Co" "Co" "Co" "Co" "P" "P" "P" "P" "O" "O" "O" "O" "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" 6.53003067 "source-unit" "angstrom" } "b" { "source-value" 7.41591638 "source-unit" "angstrom" } "c" { "source-value" 7.47954981 "source-unit" "angstrom" } }