{ "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" [ [ 0.301024 0.234219 0.850693 ] [ 0.698976 0.765781 0.149307 ] [ 0.316309 0.301168 0.364205 ] [ 0.683691 0.698832 0.635795 ] [ 0.826714 0.264858 0.606903 ] [ 0.225202 0.744112 0.857196 ] [ 0.774798 0.255888 0.142804 ] [ 0.173286 0.735142 0.393097 ] [ 0.053206 0.388334 0.370084 ] [ 0.946794 0.611666 0.629916 ] [ 0.411186 0.767375 0.624933 ] [ 0.660404 0.857793 0.965955 ] [ 0.456764 0.655278 0.222662 ] [ 0.156601 0.051827 0.718708 ] [ 0.163269 0.388795 0.868006 ] [ 0.339596 0.142207 0.034045 ] [ 0.588814 0.232625 0.375067 ] [ 0.843399 0.948173 0.281292 ] [ 0.836731 0.611205 0.131994 ] [ 0.543236 0.344722 0.777338 ] ] } "species" { "source-value" [ "Cr" "Cr" "Hg" "Hg" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "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" 6.593715056 "source-unit" "angstrom" } "b" { "source-value" 7.345666999 "source-unit" "angstrom" } "c" { "source-value" 7.99263003441 "source-unit" "angstrom" } "alpha" { "source-value" 90.8094349025 "source-unit" "degree" } "beta" { "source-value" 93.5287881208 "source-unit" "degree" } "gamma" { "source-value" 110.003004465 "source-unit" "degree" } }