{ "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" [ [ 0.564667 0.329316 0.654756 ] [ 0.935333 0.829316 0.845244 ] [ 0.435333 0.670684 0.345244 ] [ 0.064667 0.170684 0.154756 ] [ 0.805364 0.223799 0.043038 ] [ 0.305364 0.276201 0.543038 ] [ 0.194636 0.776201 0.956962 ] [ 0.694636 0.723799 0.456962 ] [ 0.118907 0.331817 0.619739 ] [ 0.618907 0.168183 0.119739 ] [ 0.881093 0.668183 0.380261 ] [ 0.381093 0.831817 0.880261 ] [ 0.154208 0.163193 0.989383 ] [ 0.345792 0.663193 0.510617 ] [ 0.845792 0.836807 0.010617 ] [ 0.654208 0.336807 0.489383 ] [ 0.328657 0.115303 0.24749 ] [ 0.171343 0.615303 0.25251 ] [ 0.671343 0.884697 0.75251 ] [ 0.828657 0.384697 0.74749 ] [ 0.96482 0.190265 0.3129 ] [ 0.53518 0.690265 0.1871 ] [ 0.03518 0.809735 0.6871 ] [ 0.46482 0.309735 0.8129 ] [ 0.804394 0.457134 0.046786 ] [ 0.695606 0.957134 0.453214 ] [ 0.195606 0.542866 0.953214 ] [ 0.304394 0.042866 0.546786 ] ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "S" "S" "S" "S" "Cl" "Cl" "Cl" "Cl" "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" 8.19463740676 "source-unit" "angstrom" } "b" { "source-value" 8.64596341 "source-unit" "angstrom" } "c" { "source-value" 12.6772443151 "source-unit" "angstrom" } "beta" { "source-value" 100.202715415 "source-unit" "degree" } }