{ "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" [ [ 0.991318 0.704037 0.347768 ] [ 0.507701 0.638086 0.203912 ] [ 0.492299 0.361914 0.796088 ] [ 0.008682 0.295963 0.652232 ] [ 0.177947 0.24144 0.14427 ] [ 0.5 0 0.5 ] [ 0.822053 0.75856 0.85573 ] [ 0.894077 0.596535 0.155825 ] [ 0.5 0.5 0 ] [ 0.5 0 0 ] [ 0.828779 0.055871 0.267855 ] [ 0.300982 0.850029 0.359387 ] [ 0.246899 0.361874 0.389711 ] [ 0.753101 0.638126 0.610289 ] [ 0.699018 0.149971 0.640613 ] [ 0.171221 0.944129 0.732145 ] [ 0.105923 0.403465 0.844175 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "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" 5.19631027 "source-unit" "angstrom" } "b" { "source-value" 5.50635922 "source-unit" "angstrom" } "c" { "source-value" 7.74129726 "source-unit" "angstrom" } "alpha" { "source-value" 71.2474292 "source-unit" "degree" } "beta" { "source-value" 74.31467447 "source-unit" "degree" } "gamma" { "source-value" 78.06474645 "source-unit" "degree" } }