{ "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" [ [ 0.286978 0.437725 0.159257 ] [ 0.642112 0.509583 0.503753 ] [ 0.912107 0.988914 0.997799 ] [ 0.355151 0.599375 0.791648 ] [ 0.896957 0.103779 0.709592 ] [ 0.708866 0.898496 0.286492 ] [ 0.753247 0.390831 0.206302 ] [ 0.200794 0.651447 0.94472 ] [ 0.603567 0.585876 0.746023 ] [ 0.105997 0.073218 0.761921 ] [ 0.707602 0.054564 0.822963 ] [ 0.872785 0.175835 0.561944 ] [ 0.272313 0.557468 0.674575 ] [ 0.602158 0.836292 0.432124 ] [ 0.933888 0.416971 0.259865 ] [ 0.571919 0.982009 0.170712 ] [ 0.959271 0.882957 0.237456 ] [ 0.510428 0.445076 0.313832 ] [ 0.801063 0.3199 0.058772 ] ] } "species" { "source-value" [ "Li" "Fe" "Fe" "C" "C" "C" "C" "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" 5.58868305 "source-unit" "angstrom" } "b" { "source-value" 6.34023085 "source-unit" "angstrom" } "c" { "source-value" 8.3199384 "source-unit" "angstrom" } "alpha" { "source-value" 81.66083508 "source-unit" "degree" } "beta" { "source-value" 72.68934528 "source-unit" "degree" } "gamma" { "source-value" 63.89366431 "source-unit" "degree" } }