{ "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 0.609966 0.053323 ] [ 0.75 0.109966 0.446677 ] [ 0.25 0.390034 0.946677 ] [ 0.25 0.890034 0.553323 ] [ 0.25 0.270266 0.381349 ] [ 0.75 0.229734 0.881349 ] [ 0.75 0.729734 0.618651 ] [ 0.25 0.770266 0.118651 ] [ 0.25 0.02731 0.852981 ] [ 0.75 0.97269 0.147019 ] [ 0.25 0.52731 0.647019 ] [ 0.75 0.47269 0.352981 ] [ 0.071114 0.63992 0.058207 ] [ 0.071114 0.13992 0.441793 ] [ 0.928886 0.36008 0.941793 ] [ 0.571114 0.86008 0.558207 ] [ 0.571114 0.36008 0.941793 ] [ 0.75 0.727993 0.812935 ] [ 0.428886 0.63992 0.058207 ] [ 0.75 0.227993 0.687065 ] [ 0.25 0.272007 0.187065 ] [ 0.25 0.772007 0.312935 ] [ 0.928886 0.86008 0.558207 ] [ 0.428886 0.13992 0.441793 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Se" "Se" "Se" "Se" "Cl" "Cl" "Cl" "Cl" "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" 7.24369374 "source-unit" "angstrom" } "b" { "source-value" 7.45258827 "source-unit" "angstrom" } "c" { "source-value" 8.66532991 "source-unit" "angstrom" } }