{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.121759 0.403979 0.790156 ] [ 0.121759 0.596021 0.290156 ] [ 0.78647 0.072558 0.929928 ] [ 0.78647 0.927442 0.429928 ] [ 0.880108 0.896402 0.714032 ] [ 0.880108 0.103598 0.214032 ] [ 0.508234 0.614463 0.843373 ] [ 0.488751 0.101886 0.653939 ] [ 0.508234 0.385537 0.343373 ] [ 0.488751 0.898114 0.153939 ] [ 0.198984 0.945444 0.926024 ] [ 0.198984 0.054556 0.426024 ] [ 0.797625 0.42418 0.569846 ] [ 0.797625 0.57582 0.069846 ] [ 0.04672 0.050377 0.857844 ] [ 0.04672 0.949623 0.357844 ] [ 0.253054 0.710106 0.898754 ] [ 0.253054 0.289894 0.398754 ] [ 0.294649 0.933977 0.518632 ] [ 0.377541 0.380834 0.736385 ] [ 0.294649 0.066023 0.018632 ] [ 0.377541 0.619166 0.236385 ] [ 0.640213 0.894874 0.788596 ] [ 0.713187 0.442197 0.973344 ] [ 0.640213 0.105126 0.288596 ] [ 0.713187 0.557803 0.473344 ] [ 0.761293 0.172212 0.572424 ] [ 0.761293 0.827788 0.072424 ] [ 0.907869 0.537351 0.65789 ] [ 0.907869 0.462649 0.15789 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "C" "C" "C" "C" "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" 6.83075369 "source-unit" "angstrom" } "b" { "source-value" 5.16279433 "source-unit" "angstrom" } "c" { "source-value" 11.04634729 "source-unit" "angstrom" } "beta" { "source-value" 99.64681252 "source-unit" "degree" } }