{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.255495 0.895775 0.013282 ] [ 0.225343 0.447822 0.209303 ] [ 0.774657 0.947822 0.290697 ] [ 0.255495 0.604225 0.513282 ] [ 0.744505 0.104225 0.986718 ] [ 0.744505 0.395775 0.486718 ] [ 0.225343 0.052178 0.709303 ] [ 0.774657 0.552178 0.790697 ] [ 0.246638 0.537899 0.974426 ] [ 0.261829 0.771259 0.260082 ] [ 0.246638 0.962101 0.474426 ] [ 0.753362 0.462101 0.025574 ] [ 0.261829 0.728741 0.760082 ] [ 0.738171 0.271259 0.239918 ] [ 0.753362 0.037899 0.525574 ] [ 0.738171 0.228741 0.739918 ] [ 0.53245 0.766372 0.014111 ] [ 0.029557 0.230532 0.023907 ] [ 0.005373 0.486007 0.314524 ] [ 0.994627 0.986007 0.185476 ] [ 0.501176 0.498193 0.314235 ] [ 0.53245 0.733628 0.514111 ] [ 0.029557 0.269468 0.523907 ] [ 0.501176 0.001807 0.814235 ] [ 0.498824 0.998193 0.185765 ] [ 0.970443 0.730532 0.476093 ] [ 0.46755 0.266372 0.485889 ] [ 0.498824 0.501807 0.685765 ] [ 0.005373 0.013993 0.814524 ] [ 0.994627 0.513993 0.685476 ] [ 0.970443 0.769468 0.976093 ] [ 0.46755 0.233628 0.985889 ] [ 0.125074 0.748725 0.030495 ] [ 0.102346 0.896613 0.285019 ] [ 0.376368 0.923436 0.199203 ] [ 0.125208 0.366996 0.055365 ] [ 0.584722 0.869352 0.139307 ] [ 0.130112 0.549964 0.296671 ] [ 0.62109 0.627454 0.035637 ] [ 0.923121 0.883146 0.062436 ] [ 0.3853 0.576933 0.213844 ] [ 0.075168 0.122681 0.145274 ] [ 0.125074 0.751275 0.530495 ] [ 0.375743 0.740288 0.465551 ] [ 0.624257 0.240288 0.034449 ] [ 0.076879 0.383146 0.437564 ] [ 0.423859 0.112098 0.070926 ] [ 0.130112 0.950036 0.796671 ] [ 0.62109 0.872546 0.535637 ] [ 0.576141 0.612098 0.429074 ] [ 0.623632 0.423436 0.300797 ] [ 0.3853 0.923067 0.713844 ] [ 0.415278 0.369352 0.360693 ] [ 0.874792 0.866996 0.444635 ] [ 0.075168 0.377319 0.645274 ] [ 0.897654 0.396613 0.214981 ] [ 0.102346 0.603387 0.785019 ] [ 0.924832 0.622681 0.354726 ] [ 0.125208 0.133004 0.555365 ] [ 0.584722 0.630648 0.639307 ] [ 0.6147 0.076933 0.286156 ] [ 0.376368 0.576564 0.699203 ] [ 0.423859 0.387902 0.570926 ] [ 0.37891 0.127454 0.464363 ] [ 0.869888 0.049964 0.203329 ] [ 0.576141 0.887902 0.929074 ] [ 0.923121 0.616854 0.562436 ] [ 0.375743 0.759712 0.965551 ] [ 0.624257 0.259712 0.534449 ] [ 0.874926 0.248725 0.469505 ] [ 0.924832 0.877319 0.854726 ] [ 0.6147 0.423067 0.786156 ] [ 0.076879 0.116854 0.937564 ] [ 0.37891 0.372546 0.964363 ] [ 0.869888 0.450036 0.703329 ] [ 0.415278 0.130648 0.860693 ] [ 0.874792 0.633004 0.944635 ] [ 0.623632 0.076564 0.800797 ] [ 0.897654 0.103387 0.714981 ] [ 0.874926 0.251275 0.969505 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.46898829 "source-unit" "angstrom" } "b" { "source-value" 8.58210511 "source-unit" "angstrom" } "c" { "source-value" 11.95410167 "source-unit" "angstrom" } "beta" { "source-value" 112.35425662 "source-unit" "degree" } }