{ "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" [ [ 0.25 0.719408 0.612634 ] [ 0.25 0.219408 0.887366 ] [ 0.75 0.280592 0.387366 ] [ 0.75 0.780592 0.112634 ] [ 0.25 0.298458 0.589043 ] [ 0.25 0.798458 0.910957 ] [ 0.75 0.701542 0.410957 ] [ 0.75 0.201542 0.089043 ] [ 0.25 0.058856 0.322035 ] [ 0.25 0.558856 0.177965 ] [ 0.75 0.941144 0.677965 ] [ 0.75 0.441144 0.822035 ] [ 0.25 0.630071 0.538767 ] [ 0.25 0.130071 0.961233 ] [ 0.75 0.369929 0.461233 ] [ 0.75 0.869929 0.038767 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "Pb" "Pb" "Pb" "Pb" "Cl" "Cl" "Cl" "Cl" "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" 4.06968694 "source-unit" "angstrom" } "b" { "source-value" 7.185355 "source-unit" "angstrom" } "c" { "source-value" 9.95751722 "source-unit" "angstrom" } }