{ "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" [ [ 0.77832 0 0.88726 ] [ 0.22168 0 0.11274 ] [ 0.27832 0.5 0.88726 ] [ 0.72168 0.5 0.11274 ] [ 0.362229 0 0.730947 ] [ 0.637771 0 0.269053 ] [ 0.862229 0.5 0.730947 ] [ 0.137771 0.5 0.269053 ] [ 0.989647 0 0.231607 ] [ 0.010353 0 0.768393 ] [ 0.489647 0.5 0.231607 ] [ 0.510353 0.5 0.768393 ] [ 0.706492 0 0.537956 ] [ 0.293508 0 0.462044 ] [ 0.700795 0.807047 0.153708 ] [ 0.454962 0 0.199633 ] [ 0.299205 0.807047 0.846292 ] [ 0.700795 0.192953 0.153708 ] [ 0.545038 0 0.800367 ] [ 0.299205 0.192953 0.846292 ] [ 0.206492 0.5 0.537956 ] [ 0.793508 0.5 0.462044 ] [ 0.200795 0.307047 0.153708 ] [ 0.954962 0.5 0.199633 ] [ 0.799205 0.307047 0.846292 ] [ 0.200795 0.692953 0.153708 ] [ 0.045038 0.5 0.800367 ] [ 0.799205 0.692953 0.846292 ] ] } "species" { "source-value" [ "Tm" "Tm" "Tm" "Tm" "Mo" "Mo" "Mo" "Mo" "Cl" "Cl" "Cl" "Cl" "O" "O" "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" 10.2167953722 "source-unit" "angstrom" } "b" { "source-value" 7.24137191491 "source-unit" "angstrom" } "c" { "source-value" 6.87600960446 "source-unit" "angstrom" } "beta" { "source-value" 107.542530243 "source-unit" "degree" } }