{ "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 0 0 ] [ 0.866173 0.862266 0.441804 ] [ 0.133827 0.137734 0.558196 ] [ 0.71408 0.046724 0.287855 ] [ 0.28592 0.953276 0.712145 ] [ 0.282135 0.761511 0.142111 ] [ 0.717865 0.238489 0.857889 ] [ 0.64211 0.499765 0.557244 ] [ 0.35789 0.500235 0.442756 ] [ 0.874854 0.068762 0.235208 ] [ 0.125146 0.931238 0.764792 ] [ 0.203597 0.810961 0.055804 ] [ 0.796403 0.189039 0.944196 ] [ 0.984931 0.962976 0.358481 ] [ 0.015069 0.037024 0.641519 ] [ 0.828805 0.409741 0.44971 ] [ 0.171195 0.590259 0.55029 ] [ 0.559649 0.365092 0.721759 ] [ 0.440351 0.634908 0.278241 ] [ 0.646835 0.73659 0.546711 ] [ 0.353165 0.26341 0.453289 ] ] } "species" { "source-value" [ "Ni" "H" "H" "H" "H" "H" "H" "S" "S" "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" 6.27982597 "source-unit" "angstrom" } "b" { "source-value" 6.32360001 "source-unit" "angstrom" } "c" { "source-value" 8.90719988 "source-unit" "angstrom" } "alpha" { "source-value" 74.22482879 "source-unit" "degree" } "beta" { "source-value" 73.29934572 "source-unit" "degree" } "gamma" { "source-value" 82.97011977 "source-unit" "degree" } }