{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.504064 0 0.501714 ] [ 0.104607 0 0.301492 ] [ 0.897022 0.5 0.199747 ] [ 0.693672 0 0.097029 ] [ 0.296453 0 0.898389 ] [ 0.099685 0.5 0.799864 ] [ 0.902519 0 0.701187 ] [ 0.704897 0.5 0.602466 ] [ 0.301673 0.5 0.401541 ] [ 0.495955 0.5 0.99612 ] [ 0.59939 0 0.950185 ] [ 0.193384 0.5 0.944988 ] [ 0.995691 0 0.846335 ] [ 0.400453 0.5 0.852221 ] [ 0.20432 0 0.753654 ] [ 0.799391 0.5 0.747938 ] [ 0.603004 0 0.648604 ] [ 0.815069 0 0.556749 ] [ 0.003213 0.5 0.654835 ] [ 0.400654 0.5 0.552327 ] [ 0.604336 0.5 0.450936 ] [ 0.192024 0 0.446678 ] [ 0.410506 0 0.356094 ] [ 0.999825 0.5 0.35258 ] [ 0.791435 0 0.251041 ] [ 0.224178 0.5 0.25505 ] [ 0.002142 0 0.147639 ] [ 0.570156 0.5 0.143317 ] [ 0.802107 0.5 0.046956 ] [ 0.388173 0 0.042325 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "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" 5.02593865 "source-unit" "angstrom" } "b" { "source-value" 2.90499203 "source-unit" "angstrom" } "c" { "source-value" 23.55269336 "source-unit" "angstrom" } "beta" { "source-value" 93.47312507 "source-unit" "degree" } }