{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.773224 0.9323 0.179128 ] [ 0.77224 0.431533 0.675495 ] [ 0.230542 0.070473 0.817912 ] [ 0.752818 0.586072 0.133658 ] [ 0.197945 0.71003 0.953077 ] [ 0.799381 0.790675 0.541253 ] [ 0.1953 0.210302 0.457869 ] [ 0.80236 0.294011 0.043304 ] [ 0.270856 0.91311 0.660893 ] [ 0.725075 0.58345 0.837818 ] [ 0.265169 0.416146 0.163122 ] [ 0.725153 0.088167 0.337577 ] [ 0.713225 0.651885 0.393388 ] [ 0.706964 0.145505 0.897365 ] [ 0.296572 0.845894 0.107362 ] [ 0.295871 0.355049 0.600584 ] [ 0.207242 0.873364 0.811158 ] [ 0.861027 0.656925 0.921067 ] [ 0.565038 0.884685 0.633923 ] [ 0.42981 0.608363 0.865425 ] [ 0.120916 0.839245 0.586292 ] [ 0.791744 0.938531 0.370814 ] [ 0.800043 0.62343 0.690527 ] [ 0.799171 0.433709 0.874779 ] [ 0.540936 0.209114 0.960056 ] [ 0.532325 0.704229 0.45846 ] [ 0.38263 0.91561 0.172365 ] [ 0.379151 0.421945 0.669419 ] [ 0.945539 0.672053 0.421227 ] [ 0.949405 0.158308 0.91136 ] [ 0.053895 0.838963 0.086637 ] [ 0.054287 0.337572 0.587885 ] [ 0.619457 0.077952 0.829916 ] [ 0.666436 0.590439 0.312667 ] [ 0.46187 0.775362 0.049537 ] [ 0.463724 0.293484 0.536867 ] [ 0.159161 0.561589 0.121916 ] [ 0.200411 0.370472 0.310392 ] [ 0.207508 0.063449 0.626081 ] [ 0.871593 0.161278 0.415107 ] [ 0.56576 0.408334 0.129125 ] [ 0.43097 0.114133 0.366514 ] [ 0.134359 0.333856 0.086966 ] [ 0.788411 0.13092 0.187611 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "P" "P" "P" "P" "C" "C" "C" "C" "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" 5.16647605 "source-unit" "angstrom" } "b" { "source-value" 10.59116406 "source-unit" "angstrom" } "c" { "source-value" 10.65512635 "source-unit" "angstrom" } "alpha" { "source-value" 74.76078841 "source-unit" "degree" } "beta" { "source-value" 85.87911161 "source-unit" "degree" } "gamma" { "source-value" 85.88470829 "source-unit" "degree" } }