{ "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" [ [ 0.43679 0.075326 0.458744 ] [ 0.853719 0.564874 0.758501 ] [ 0.853719 0.435126 0.258501 ] [ 0.43679 0.924674 0.958744 ] [ 0.996876 0.256716 0.496063 ] [ 0.996876 0.743284 0.996063 ] [ 0.464303 0.073673 0.823341 ] [ 0.464303 0.926327 0.323341 ] [ 0.344823 0.366702 0.441493 ] [ 0.344823 0.633298 0.941493 ] [ 0.695692 0.071085 0.553466 ] [ 0.695692 0.928915 0.053466 ] [ 0.848141 0.56203 0.410415 ] [ 0.848141 0.43797 0.910415 ] [ 0.210731 0.958805 0.546965 ] [ 0.210731 0.041195 0.046965 ] [ 0.949932 0.848823 0.79723 ] [ 0.949932 0.151177 0.29723 ] [ 0.597441 0.56176 0.677274 ] [ 0.597441 0.43824 0.177274 ] [ 0.070152 0.416963 0.677507 ] [ 0.070152 0.583037 0.177507 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Cd" "Cd" "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" 7.19146928341 "source-unit" "angstrom" } "b" { "source-value" 7.10763094 "source-unit" "angstrom" } "c" { "source-value" 13.2301898582 "source-unit" "angstrom" } "beta" { "source-value" 92.3370282988 "source-unit" "degree" } }