{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.193338 0.5 0.163183 ] [ 0.806662 0.5 0.836817 ] [ 0.693338 0 0.163183 ] [ 0.306662 0 0.836817 ] [ 0.034953 0 0.800299 ] [ 0.965047 0 0.199701 ] [ 0.534953 0.5 0.800299 ] [ 0.465047 0.5 0.199701 ] [ 0.819944 0.5 0.43434 ] [ 0.180056 0.5 0.56566 ] [ 0.319944 0 0.43434 ] [ 0.680056 0 0.56566 ] [ 0.046748 0.5 0.839936 ] [ 0.953252 0.5 0.160064 ] [ 0.082134 0 0.154377 ] [ 0 0 0.5 ] [ 0.176321 0 0.933056 ] [ 0.917866 0 0.845623 ] [ 0.823679 0 0.066944 ] [ 0.546748 0 0.839936 ] [ 0.453252 0 0.160064 ] [ 0.582134 0.5 0.154377 ] [ 0.5 0.5 0.5 ] [ 0.676321 0.5 0.933056 ] [ 0.417866 0.5 0.845623 ] [ 0.323679 0.5 0.066944 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Ta" "Ta" "Ta" "Ta" "Cl" "Cl" "Cl" "Cl" "O" "O" "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" 15.4628219763 "source-unit" "angstrom" } "b" { "source-value" 3.93706271908 "source-unit" "angstrom" } "c" { "source-value" 6.92091134306 "source-unit" "angstrom" } "beta" { "source-value" 113.9540671 "source-unit" "degree" } }