{ "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" [ [ 0.075666 0.770294 0.58697 ] [ 0.699064 0.600266 0.217401 ] [ 0.300936 0.399734 0.782599 ] [ 0.924334 0.229706 0.41303 ] [ 0.302623 0.897051 0.312972 ] [ 0.697377 0.102949 0.687028 ] [ 0.5 0 0 ] [ 0.099199 0.299913 0.09779 ] [ 0.900801 0.700087 0.90221 ] [ 0.898468 0.941372 0.136928 ] [ 0.697338 0.888512 0.446942 ] [ 0.281721 0.670069 0.046161 ] [ 0.09078 0.542066 0.319925 ] [ 0.539027 0.776691 0.781321 ] [ 0.460973 0.223309 0.218679 ] [ 0.90922 0.457934 0.680075 ] [ 0.718279 0.329931 0.953839 ] [ 0.302662 0.111488 0.553058 ] [ 0.101532 0.058628 0.863071 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Ni" "Ni" "Ni" "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" 5.04211345 "source-unit" "angstrom" } "b" { "source-value" 5.08188851 "source-unit" "angstrom" } "c" { "source-value" 7.76668992 "source-unit" "angstrom" } "alpha" { "source-value" 102.83722069 "source-unit" "degree" } "beta" { "source-value" 108.34019929 "source-unit" "degree" } "gamma" { "source-value" 99.31495397 "source-unit" "degree" } }