{ "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" [ [ 0.667228 0.829448 0.276363 ] [ 0.832772 0.329448 0.223637 ] [ 0.332772 0.170552 0.723637 ] [ 0.167228 0.670552 0.776363 ] [ 0.656199 0.781478 0.998902 ] [ 0.843801 0.281478 0.501098 ] [ 0.343801 0.218522 0.001098 ] [ 0.156199 0.718522 0.498902 ] [ 0.070675 0.674539 0.12661 ] [ 0.429325 0.174539 0.37339 ] [ 0.929325 0.325461 0.87339 ] [ 0.570675 0.825461 0.62661 ] [ 0.985654 0.90742 0.170555 ] [ 0.514346 0.40742 0.329445 ] [ 0.014346 0.09258 0.829445 ] [ 0.485654 0.59258 0.670555 ] [ 0.484861 0.772179 0.283186 ] [ 0.015139 0.272179 0.216814 ] [ 0.515139 0.227821 0.716814 ] [ 0.984861 0.727821 0.783186 ] [ 0.869426 0.897454 0.276203 ] [ 0.630574 0.397454 0.223797 ] [ 0.130574 0.102546 0.723797 ] [ 0.369426 0.602546 0.776203 ] [ 0.32422 0.850488 0.538732 ] [ 0.17578 0.350488 0.961268 ] [ 0.67578 0.149512 0.461268 ] [ 0.82422 0.649512 0.038732 ] [ 0.277141 0.577118 0.560116 ] [ 0.222859 0.077118 0.939884 ] [ 0.722859 0.422882 0.439884 ] [ 0.777141 0.922882 0.060116 ] ] } "species" { "source-value" [ "C" "C" "C" "C" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "N" "N" "N" "N" "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" 5.67658437732 "source-unit" "angstrom" } "b" { "source-value" 9.28008686 "source-unit" "angstrom" } "c" { "source-value" 12.5568283074 "source-unit" "angstrom" } "beta" { "source-value" 101.599739688 "source-unit" "degree" } }