{ "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" [ [ 0.25 0.867329 0.584968 ] [ 0.75 0.132671 0.415032 ] [ 0.25 0.367329 0.915032 ] [ 0.75 0.632671 0.084968 ] [ 0.25 0.517171 0.326392 ] [ 0.75 0.482829 0.673608 ] [ 0.25 0.017171 0.173608 ] [ 0.75 0.982829 0.826392 ] [ 0.25 0.270349 0.57601 ] [ 0.75 0.729651 0.42399 ] [ 0.25 0.770349 0.92399 ] [ 0.75 0.229651 0.07601 ] [ 0.500162 0.82112 0.348838 ] [ 0.000162 0.17888 0.651162 ] [ 0.999838 0.32112 0.151162 ] [ 0.499838 0.67888 0.848838 ] [ 0.499838 0.17888 0.651162 ] [ 0.999838 0.82112 0.348838 ] [ 0.000162 0.67888 0.848838 ] [ 0.500162 0.32112 0.151162 ] [ 0.25 0.186151 0.413234 ] [ 0.75 0.813849 0.586766 ] [ 0.25 0.686151 0.086766 ] [ 0.75 0.313849 0.913234 ] [ 0.75 0.991784 0.087965 ] [ 0.25 0.008216 0.912035 ] [ 0.75 0.491784 0.412035 ] [ 0.25 0.508216 0.587965 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Co" "Co" "Co" "Co" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.34204142 "source-unit" "angstrom" } "b" { "source-value" 9.45127848 "source-unit" "angstrom" } "c" { "source-value" 13.03226723 "source-unit" "angstrom" } }