{ "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" [ [ 0.752033 0.992996 0.982296 ] [ 0.268917 0.989075 0.505557 ] [ 0.498354 0.253545 0.748415 ] [ 0.00066 0.259365 0.74627 ] [ 0.005941 0.750614 0.236163 ] [ 0.506683 0.745557 0.272039 ] [ 0.73073 0.76033 0.638541 ] [ 0.21372 0.775846 0.872514 ] [ 0.75306 0.505863 0.999471 ] [ 0.262313 0.507301 0.509579 ] [ 0.747318 0.287529 0.370012 ] [ 0.243995 0.178645 0.121232 ] [ 0.261699 0.946639 0.258795 ] [ 0.475495 0.734339 0.515597 ] [ 0.96093 0.751529 0.994197 ] [ 0.754484 0.540129 0.245808 ] [ 0.76123 0.008281 0.247945 ] [ 0.510944 0.759278 0.98591 ] [ 0.014212 0.753158 0.509526 ] [ 0.253051 0.477745 0.239495 ] [ 0.74676 0.468225 0.750998 ] [ 0.247561 0.477891 0.756222 ] [ 0.027413 0.2737 0.504373 ] [ 0.982089 0.239778 0.989406 ] [ 0.522683 0.246223 0.992395 ] [ 0.489389 0.240846 0.508822 ] [ 0.758971 0.036377 0.751654 ] [ 0.249365 0.039195 0.74677 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.22980597 "source-unit" "angstrom" } "b" { "source-value" 6.27804007 "source-unit" "angstrom" } "c" { "source-value" 8.62666477 "source-unit" "angstrom" } "alpha" { "source-value" 91.05598573 "source-unit" "degree" } "beta" { "source-value" 90.03994092 "source-unit" "degree" } "gamma" { "source-value" 90.19677511 "source-unit" "degree" } }