{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.273823 0.75 0.066079 ] [ 0.726177 0.25 0.933921 ] [ 0.232103 0.75 0.551087 ] [ 0.767897 0.25 0.448913 ] [ 0.783635 0.75 0.68156 ] [ 0.216365 0.25 0.31844 ] [ 0.003798 0.501422 0.279118 ] [ 0.996202 0.001422 0.720882 ] [ 0.996202 0.498578 0.720882 ] [ 0.003798 0.998578 0.279118 ] [ 0.585774 0.75 0.831671 ] [ 0.414226 0.25 0.168329 ] [ 0.602109 0.75 0.437304 ] [ 0.397891 0.25 0.562696 ] ] } "species" { "source-value" [ "K" "K" "Ce" "Ce" "Si" "Si" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.57774445904 "source-unit" "angstrom" } "b" { "source-value" 6.60657294 "source-unit" "angstrom" } "c" { "source-value" 8.83689203153 "source-unit" "angstrom" } "beta" { "source-value" 106.966457746 "source-unit" "degree" } }