{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.788423 0.4876 0.217265 ] [ 0.211577 0.9876 0.782735 ] [ 0.20208 0.245443 0.346214 ] [ 0.79792 0.745443 0.653786 ] [ 0.273399 0.754088 0.422277 ] [ 0.726601 0.254088 0.577723 ] [ 0.273235 0.251453 0.064046 ] [ 0.726765 0.751453 0.935954 ] [ 0.6966 0.715219 0.073452 ] [ 0.04863 0.255142 0.116394 ] [ 0.461029 0.280186 0.165379 ] [ 0.20587 0.957742 0.309932 ] [ 0.168082 0.549559 0.318767 ] [ 0.851861 0.269298 0.403213 ] [ 0.600814 0.736421 0.462907 ] [ 0.399186 0.236421 0.537093 ] [ 0.148139 0.769298 0.596787 ] [ 0.831918 0.049559 0.681233 ] [ 0.79413 0.457742 0.690068 ] [ 0.538971 0.780186 0.834621 ] [ 0.95137 0.755142 0.883606 ] [ 0.3034 0.215219 0.926548 ] ] } "species" { "source-value" [ "Li" "Li" "Fe" "Fe" "As" "As" "C" "C" "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" 5.26499948 "source-unit" "angstrom" } "b" { "source-value" 6.6440335 "source-unit" "angstrom" } "c" { "source-value" 8.82889318 "source-unit" "angstrom" } "beta" { "source-value" 94.51094324 "source-unit" "degree" } }