{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.977525 0.495646 0.705859 ] [ 0.022475 0.995646 0.294141 ] [ 0.998271 0.957487 0.722061 ] [ 0.001729 0.457487 0.277939 ] [ 0.292232 0.262198 0.98842 ] [ 0.707768 0.762198 0.01158 ] [ 0.442959 0.449838 0.991095 ] [ 0.557041 0.949838 0.008905 ] [ 0.682731 0.221258 0.504545 ] [ 0.317269 0.721258 0.495455 ] [ 0.260479 0.387944 0.989342 ] [ 0.739521 0.887944 0.010658 ] [ 0.290585 0.062928 0.002517 ] [ 0.709415 0.562928 0.997483 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "H" "H" "H" "H" "I" "I" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.86077535 "source-unit" "angstrom" } "b" { "source-value" 7.90706637 "source-unit" "angstrom" } "c" { "source-value" 6.50505817 "source-unit" "angstrom" } "beta" { "source-value" 91.19039936 "source-unit" "degree" } }