{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.733513 0.023692 0.633658 ] [ 0.266487 0.976308 0.366342 ] [ 0.266487 0.523692 0.866342 ] [ 0.733513 0.476308 0.133658 ] [ 0.036454 0.923455 0.982421 ] [ 0.963546 0.076545 0.017579 ] [ 0.963546 0.423455 0.517579 ] [ 0.036454 0.576545 0.482421 ] [ 0.098407 0.706371 0.452508 ] [ 0.098407 0.793629 0.952508 ] [ 0.901593 0.206371 0.047492 ] [ 0.901593 0.293629 0.547492 ] [ 0.756674 0.845239 0.476317 ] [ 0.39013 0.738406 0.453525 ] [ 0.756674 0.654761 0.976317 ] [ 0.906553 0.854873 0.69531 ] [ 0.093447 0.354873 0.80469 ] [ 0.405208 0.188626 0.292431 ] [ 0.594792 0.688626 0.207569 ] [ 0.243326 0.154761 0.523683 ] [ 0.60987 0.238406 0.046475 ] [ 0.759177 0.269345 0.766878 ] [ 0.243326 0.345239 0.023683 ] [ 0.405208 0.311374 0.792431 ] [ 0.240823 0.730655 0.233122 ] [ 0.60987 0.261594 0.546475 ] [ 0.594792 0.811374 0.707569 ] [ 0.240823 0.769345 0.733122 ] [ 0.093447 0.145127 0.30469 ] [ 0.759177 0.230655 0.266878 ] [ 0.906553 0.645127 0.19531 ] [ 0.39013 0.761594 0.953525 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "C" "C" "C" "C" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.4272865197 "source-unit" "angstrom" } "b" { "source-value" 6.41589954 "source-unit" "angstrom" } "c" { "source-value" 13.074300354 "source-unit" "angstrom" } "beta" { "source-value" 91.2320299663 "source-unit" "degree" } }