{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.25497 0.697373 0.723005 ] [ 0.749679 0.276062 0.976015 ] [ 0.754553 0.025031 0.300537 ] [ 0.251735 0.024102 0.300021 ] [ 0.99797 0.983669 0.6204 ] [ 0.498162 0.98412 0.62408 ] [ 0.002119 0.385327 0.367812 ] [ 0.504711 0.384936 0.368276 ] [ 0.002442 0.626868 0.008921 ] [ 0.500952 0.626684 0.011347 ] [ 0.250976 0.331532 0.665797 ] [ 0.749696 0.330654 0.663305 ] [ 0.002833 0.000292 0.002112 ] [ 0.50151 0.000283 0.006205 ] [ 0.751703 0.668015 0.328522 ] [ 0.25133 0.667041 0.337083 ] [ 0.48979 0.804138 0.911689 ] [ 0.019305 0.804432 0.908986 ] [ 0.247702 0.783788 0.535248 ] [ 0.747926 0.784027 0.523266 ] [ 0.251257 0.454161 0.859365 ] [ 0.750046 0.445857 0.859107 ] [ 0.984332 0.089416 0.896598 ] [ 0.512528 0.090487 0.901022 ] [ 0.755003 0.747536 0.209912 ] [ 0.252194 0.747542 0.220016 ] [ 0.253934 0.411034 0.548476 ] [ 0.754054 0.402049 0.541212 ] [ 0.745944 0.133999 0.585703 ] [ 0.247893 0.135842 0.586404 ] [ 0.752139 0.470497 0.247871 ] [ 0.253875 0.472186 0.259168 ] [ 0.003116 0.101719 0.199428 ] [ 0.503399 0.100998 0.203243 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "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" 6.06152079 "source-unit" "angstrom" } "b" { "source-value" 8.10223789 "source-unit" "angstrom" } "c" { "source-value" 8.10377924 "source-unit" "angstrom" } "alpha" { "source-value" 119.92987629 "source-unit" "degree" } "beta" { "source-value" 90.08917578 "source-unit" "degree" } "gamma" { "source-value" 90.07892052 "source-unit" "degree" } }