{ "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" [ [ 0.645914 0.218014 0.694204 ] [ 0.354086 0.718014 0.805796 ] [ 0.354086 0.781986 0.305796 ] [ 0.645914 0.281986 0.194204 ] [ 0.371463 0.206276 0.92365 ] [ 0.628537 0.706276 0.57635 ] [ 0.628537 0.793724 0.07635 ] [ 0.371463 0.293724 0.42365 ] [ 0.077127 0.358828 0.650468 ] [ 0.922873 0.858828 0.849532 ] [ 0.922873 0.641172 0.349532 ] [ 0.077127 0.141172 0.150468 ] [ 0.839819 0.091126 0.439698 ] [ 0.160181 0.591126 0.060302 ] [ 0.160181 0.908874 0.560302 ] [ 0.839819 0.408874 0.939698 ] [ 0.338988 0.431655 0.176981 ] [ 0.661012 0.931655 0.323019 ] [ 0.661012 0.568345 0.823019 ] [ 0.338988 0.068345 0.676981 ] [ 0.740725 0.376628 0.471127 ] [ 0.259275 0.876628 0.028873 ] [ 0.259275 0.623372 0.528873 ] [ 0.740725 0.123372 0.971127 ] [ 0.10393 0.462152 0.882341 ] [ 0.89607 0.962152 0.617659 ] [ 0.89607 0.537848 0.117659 ] [ 0.10393 0.037848 0.382341 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Al" "Al" "Al" "Al" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.90248091733 "source-unit" "angstrom" } "b" { "source-value" 6.1389087 "source-unit" "angstrom" } "c" { "source-value" 9.85525407121 "source-unit" "angstrom" } "beta" { "source-value" 93.7892490858 "source-unit" "degree" } }