{ "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" [ [ 0.247622 0.365469 0.742922 ] [ 0.237902 0.878772 0.748374 ] [ 0.503249 0.75234 0.99863 ] [ 0.752378 0.634531 0.257078 ] [ 0.762098 0.121228 0.251626 ] [ 0.496751 0.24766 0.00137 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.746532 0.12812 0.749115 ] [ 0.736018 0.633211 0.751197 ] [ 0 0 0 ] [ 0.253468 0.87188 0.250885 ] [ 0.263982 0.366789 0.248803 ] [ 0.506937 0.251001 0.500413 ] [ 0.493063 0.748999 0.499587 ] [ 0.080059 0.701397 0.872062 ] [ 0.63059 0.44438 0.864722 ] [ 0.36941 0.55562 0.135278 ] [ 0.913169 0.825274 0.127263 ] [ 0.626765 0.920318 0.865183 ] [ 0.086831 0.174726 0.872737 ] [ 0.373235 0.079682 0.134817 ] [ 0.919941 0.298603 0.127938 ] [ 0.584127 0.917558 0.375244 ] [ 0.165579 0.192866 0.36658 ] [ 0.845285 0.348741 0.6356 ] [ 0.599121 0.419737 0.375722 ] [ 0.415873 0.082442 0.624756 ] [ 0.154715 0.651259 0.3644 ] [ 0.400879 0.580263 0.624278 ] [ 0.834421 0.807134 0.63342 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mg" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 5.02092765 "source-unit" "angstrom" } "b" { "source-value" 5.74454615 "source-unit" "angstrom" } "c" { "source-value" 9.83455058 "source-unit" "angstrom" } "alpha" { "source-value" 105.88888612 "source-unit" "degree" } "beta" { "source-value" 100.89363768 "source-unit" "degree" } "gamma" { "source-value" 90.07699414 "source-unit" "degree" } }