{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.176534 0.704398 0.799427 ] [ 0.562892 0.436435 0.948254 ] [ 0.562892 0.563565 0.448254 ] [ 0.991412 0.353068 0.743244 ] [ 0.176534 0.295602 0.299427 ] [ 0.991412 0.646932 0.243244 ] [ 0.480687 0.873561 0.244413 ] [ 0.480687 0.126439 0.744413 ] [ 0.684652 0.189646 0.31891 ] [ 0.086235 0.937791 0.446858 ] [ 0.086235 0.062209 0.946858 ] [ 0.684652 0.810354 0.81891 ] [ 0.568616 0.32933 0.578691 ] [ 0.847455 0.213843 0.997157 ] [ 0.8326 0.56833 0.821564 ] [ 0.568616 0.67067 0.078691 ] [ 0.8326 0.43167 0.321564 ] [ 0.038129 0.84826 0.048895 ] [ 0.347499 0.753584 0.496157 ] [ 0.245188 0.49668 0.112484 ] [ 0.388102 0.076811 0.359946 ] [ 0.038129 0.15174 0.548895 ] [ 0.347499 0.246416 0.996157 ] [ 0.245188 0.50332 0.612484 ] [ 0.388102 0.923189 0.859946 ] [ 0.847455 0.786157 0.497157 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "Ag" "Ag" "Ag" "Ag" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.62605994 "source-unit" "angstrom" } "b" { "source-value" 12.49945693 "source-unit" "angstrom" } "c" { "source-value" 7.99324956 "source-unit" "angstrom" } "beta" { "source-value" 109.07992918 "source-unit" "degree" } }