{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.663237 0.729402 0.624958 ] [ 0.782353 0.75634 0.113653 ] [ 0.336763 0.270598 0.375042 ] [ 0.217647 0.24366 0.886347 ] [ 0.914939 0.075511 0.999319 ] [ 0.442788 0.050093 0.533104 ] [ 0.085061 0.924489 0.000681 ] [ 0.557212 0.949907 0.466896 ] [ 0.875945 0.469868 0.610698 ] [ 0.529352 0.195791 0.829448 ] [ 0.310475 0.326027 0.005541 ] [ 0.124055 0.530132 0.389302 ] [ 0.904303 0.926158 0.613867 ] [ 0.389582 0.285415 0.234137 ] [ 0.689525 0.673973 0.994459 ] [ 0.091064 0.113304 0.786868 ] [ 0.120097 0.545405 0.829165 ] [ 0.60434 0.418221 0.387323 ] [ 0.879903 0.454595 0.170835 ] [ 0.610418 0.714585 0.765863 ] [ 0.470648 0.804209 0.170552 ] [ 0.095697 0.073842 0.386133 ] [ 0.908936 0.886696 0.213132 ] [ 0.39566 0.581779 0.612677 ] [ 0.234225 0.962236 0.956072 ] [ 0.533446 0.015843 0.392976 ] [ 0.765775 0.037764 0.043928 ] [ 0.064428 0.772388 0.046417 ] [ 0.935572 0.227612 0.953583 ] [ 0.466554 0.984157 0.607024 ] [ 0.332225 0.191834 0.50927 ] [ 0.667775 0.808166 0.49073 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "C" "C" "C" "C" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.12469565734 "source-unit" "angstrom" } "b" { "source-value" 7.4332517023 "source-unit" "angstrom" } "c" { "source-value" 16.6827701279 "source-unit" "angstrom" } "alpha" { "source-value" 80.0487587011 "source-unit" "degree" } "beta" { "source-value" 84.2198374423 "source-unit" "degree" } "gamma" { "source-value" 82.9564014969 "source-unit" "degree" } }