{ "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" [ [ 0.191791 0.108351 0.391035 ] [ 0 0.5 0 ] [ 0.808209 0.891649 0.608965 ] [ 0 0 0 ] [ 0.437314 0.186719 0.798083 ] [ 0.562686 0.813281 0.201917 ] [ 0.795338 0.38135 0.59463 ] [ 0.600461 0.305185 0.198831 ] [ 0.204662 0.61865 0.40537 ] [ 0.399539 0.694815 0.801169 ] [ 0.882955 0.19053 0.808354 ] [ 0.693599 0.082285 0.384304 ] [ 0.110223 0.321085 0.219127 ] [ 0.305011 0.361595 0.61903 ] [ 0.889777 0.678915 0.780873 ] [ 0.5 0.5 0 ] [ 0.694989 0.638405 0.38097 ] [ 0.117045 0.80947 0.191646 ] [ 0.306401 0.917715 0.615696 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ti" "Ti" "Fe" "Fe" "Fe" "Fe" "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" 4.21465855 "source-unit" "angstrom" } "b" { "source-value" 6.1162651 "source-unit" "angstrom" } "c" { "source-value" 7.99843719 "source-unit" "angstrom" } "alpha" { "source-value" 103.59406256 "source-unit" "degree" } "beta" { "source-value" 105.26008274 "source-unit" "degree" } "gamma" { "source-value" 90.11251435 "source-unit" "degree" } }