{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.669505 0.25 ] [ 0 0.330495 0.75 ] [ 0.5 0.169505 0.25 ] [ 0.5 0.830495 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.689877 0.047673 0.409929 ] [ 0.310123 0.047673 0.090071 ] [ 0.310123 0.952327 0.590071 ] [ 0.689877 0.952327 0.909929 ] [ 0 0.092199 0.25 ] [ 0 0.907801 0.75 ] [ 0.904682 0.220153 0.880576 ] [ 0.095318 0.220153 0.619424 ] [ 0.095318 0.779847 0.119424 ] [ 0.904682 0.779847 0.380576 ] [ 0.189877 0.547673 0.409929 ] [ 0.810123 0.547673 0.090071 ] [ 0.810123 0.452327 0.590071 ] [ 0.189877 0.452327 0.909929 ] [ 0.5 0.592199 0.25 ] [ 0.5 0.407801 0.75 ] [ 0.404682 0.720153 0.880576 ] [ 0.595318 0.720153 0.619424 ] [ 0.595318 0.279847 0.119424 ] [ 0.404682 0.279847 0.380576 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "Al" "Al" "Al" "Al" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.02353376251 "source-unit" "angstrom" } "b" { "source-value" 7.11941781045 "source-unit" "angstrom" } "c" { "source-value" 6.30702325589 "source-unit" "angstrom" } "beta" { "source-value" 116.424015914 "source-unit" "degree" } }