{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.387132 0.143388 ] [ 0.75 0.612868 0.856612 ] [ 0.75 0.887132 0.356612 ] [ 0.25 0.112868 0.643388 ] [ 0.75 0.22011 0.23173 ] [ 0.25 0.77989 0.76827 ] [ 0.25 0.72011 0.26827 ] [ 0.75 0.27989 0.73173 ] [ 0.25 0.43083 0.40952 ] [ 0.75 0.56917 0.59048 ] [ 0.75 0.93083 0.09048 ] [ 0.25 0.06917 0.90952 ] [ 0.75 0.479336 0.049344 ] [ 0.25 0.520664 0.950656 ] [ 0.25 0.979336 0.450656 ] [ 0.75 0.020664 0.549344 ] [ 0.25 0.187737 0.031945 ] [ 0.75 0.812263 0.968055 ] [ 0.75 0.687737 0.468056 ] [ 0.25 0.312263 0.531945 ] [ 0.25 0.003193 0.176212 ] [ 0.75 0.996807 0.823788 ] [ 0.75 0.503193 0.323788 ] [ 0.25 0.496807 0.676212 ] [ 0.25 0.114336 0.325479 ] [ 0.75 0.885664 0.674521 ] [ 0.75 0.614336 0.174521 ] [ 0.25 0.385664 0.825479 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.65409447 "source-unit" "angstrom" } "b" { "source-value" 5.86649777 "source-unit" "angstrom" } "c" { "source-value" 18.96323475 "source-unit" "angstrom" } }