{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.999628 0 0.999875 ] [ 0.499628 0.5 0.999875 ] [ 0.823098 0.5 0.370509 ] [ 0.323098 0 0.370509 ] [ 0.235291 0.864998 0.766677 ] [ 0.235291 0.135002 0.766677 ] [ 0.041619 0.5 0.444326 ] [ 0.042034 0.5 0.780616 ] [ 0.735291 0.364998 0.766677 ] [ 0.735291 0.635002 0.766677 ] [ 0.541619 0 0.444326 ] [ 0.542034 0 0.780616 ] [ 0.240845 0.5 0.274043 ] [ 0.740845 0 0.274043 ] [ 0.990839 0.5 0.570548 ] [ 0.776358 0.214829 0.12855 ] [ 0.776358 0.785171 0.12855 ] [ 0.224235 0 0.630739 ] [ 0.105385 0.5 0.162588 ] [ 0.490839 0 0.570548 ] [ 0.276358 0.714829 0.12855 ] [ 0.276358 0.285171 0.12855 ] [ 0.724235 0.5 0.630739 ] [ 0.605385 0 0.162588 ] ] } "species" { "source-value" [ "Cs" "Cs" "Li" "Li" "H" "H" "H" "H" "H" "H" "H" "H" "S" "S" "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" 12.13058692 "source-unit" "angstrom" } "b" { "source-value" 5.74034789 "source-unit" "angstrom" } "c" { "source-value" 4.81221922 "source-unit" "angstrom" } "beta" { "source-value" 109.01807742 "source-unit" "degree" } }