{ "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" [ [ 0.107496 0.461106 0.244171 ] [ 0.892504 0.538894 0.755829 ] [ 0.436107 0.10904 0.240203 ] [ 0.563893 0.89096 0.759797 ] [ 0 0 0 ] [ 0.721149 0.726459 0.400519 ] [ 0.278851 0.273541 0.599481 ] [ 0.621732 0.536442 0.313742 ] [ 0.378268 0.463558 0.686258 ] [ 0.77681 0.684751 0.28754 ] [ 0.275577 0.8236 0.367973 ] [ 0.724423 0.1764 0.632027 ] [ 0.386418 0.260732 0.379468 ] [ 0.613582 0.739268 0.620532 ] [ 0.324249 0.17746 0.085899 ] [ 0.675751 0.82254 0.914101 ] [ 0.766573 0.198513 0.118679 ] [ 0.233427 0.801487 0.881321 ] [ 0.22319 0.315249 0.71246 ] ] } "species" { "source-value" [ "K" "K" "Cr" "Cr" "Cd" "H" "H" "H" "H" "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" 6.04453651218 "source-unit" "angstrom" } "b" { "source-value" 6.50927461999 "source-unit" "angstrom" } "c" { "source-value" 7.74458515972 "source-unit" "angstrom" } "alpha" { "source-value" 109.829498254 "source-unit" "degree" } "beta" { "source-value" 96.474248614 "source-unit" "degree" } "gamma" { "source-value" 109.870108736 "source-unit" "degree" } }