{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.140384 0.75 0.374129 ] [ 0.639001 0.25 0.39221 ] [ 0.859616 0.25 0.625871 ] [ 0.360999 0.75 0.60779 ] [ 0.830393 0.75 0.066607 ] [ 0.169607 0.25 0.933393 ] [ 0.614573 0.104743 0.217037 ] [ 0.171904 0.38824 0.07414 ] [ 0.620072 0.75 0.579579 ] [ 0.385427 0.895257 0.782963 ] [ 0.953474 0.894586 0.323018 ] [ 0.379928 0.25 0.420421 ] [ 0.329285 0.597462 0.419165 ] [ 0.828096 0.88824 0.92586 ] [ 0.828096 0.61176 0.92586 ] [ 0.611718 0.75 0.122033 ] [ 0.19008 0.75 0.126812 ] [ 0.670715 0.097462 0.580835 ] [ 0.385427 0.604743 0.782963 ] [ 0.388282 0.25 0.877967 ] [ 0.953474 0.605414 0.323018 ] [ 0.329285 0.902538 0.419165 ] [ 0.80992 0.25 0.873188 ] [ 0.082723 0.75 0.6268 ] [ 0.046526 0.394586 0.676982 ] [ 0.171904 0.11176 0.07414 ] [ 0.917277 0.25 0.3732 ] [ 0.670715 0.402538 0.580835 ] [ 0.614573 0.395257 0.217037 ] [ 0.046526 0.105414 0.676982 ] ] } "species" { "source-value" [ "Re" "Re" "Re" "Re" "S" "S" "Cl" "Cl" "Cl" "Cl" "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" 8.72758465869 "source-unit" "angstrom" } "b" { "source-value" 11.39862983 "source-unit" "angstrom" } "c" { "source-value" 9.15314682797 "source-unit" "angstrom" } "beta" { "source-value" 94.9952099515 "source-unit" "degree" } }