{ "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" [ [ 0.108641 0.901967 0.786751 ] [ 0.108641 0.098033 0.286751 ] [ 0.791409 0.588545 0.931274 ] [ 0.791409 0.411455 0.431274 ] [ 0.903931 0.397259 0.709271 ] [ 0.903931 0.602741 0.209271 ] [ 0.512941 0.097134 0.844721 ] [ 0.498108 0.585503 0.653095 ] [ 0.512941 0.902866 0.344721 ] [ 0.498108 0.414497 0.153095 ] [ 0.195462 0.425481 0.92883 ] [ 0.195462 0.574519 0.42883 ] [ 0.79428 0.917906 0.568516 ] [ 0.79428 0.082094 0.068516 ] [ 0.049256 0.560051 0.859082 ] [ 0.049256 0.439949 0.359082 ] [ 0.2573 0.18334 0.894581 ] [ 0.2573 0.81666 0.394581 ] [ 0.287281 0.473542 0.539708 ] [ 0.287281 0.526458 0.039708 ] [ 0.396864 0.865791 0.726154 ] [ 0.396864 0.134209 0.226154 ] [ 0.622461 0.401314 0.788064 ] [ 0.622461 0.598686 0.288064 ] [ 0.714101 0.951136 0.961039 ] [ 0.714101 0.048864 0.461039 ] [ 0.742372 0.651579 0.576775 ] [ 0.742372 0.348421 0.076775 ] [ 0.908729 0.040496 0.659778 ] [ 0.908729 0.959504 0.159778 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "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" 6.63769232 "source-unit" "angstrom" } "b" { "source-value" 5.19665122 "source-unit" "angstrom" } "c" { "source-value" 10.94373008 "source-unit" "angstrom" } "beta" { "source-value" 97.18109694 "source-unit" "degree" } }