{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.361934 0.144447 0.375562 ] [ 0.638066 0.855553 0.624438 ] [ 0.984671 0.209383 0.547197 ] [ 0.731381 0.471693 0.078742 ] [ 0.73372 0.104951 0.099374 ] [ 0.26628 0.895049 0.900626 ] [ 0.268619 0.528307 0.921258 ] [ 0.294903 0.607372 0.284703 ] [ 0.015329 0.790617 0.452803 ] [ 0.705097 0.392628 0.715297 ] [ 0.692378 0.452401 0.391963 ] [ 0.980662 0.752363 0.059688 ] [ 0.019338 0.247637 0.940312 ] [ 0.391416 0.136137 0.743744 ] [ 0.307622 0.547599 0.608037 ] [ 0.608584 0.863863 0.256256 ] [ 0.582684 0.662671 0.13848 ] [ 0.811084 0.653994 0.491814 ] [ 0.186085 0.424346 0.052166 ] [ 0.813915 0.575654 0.947834 ] [ 0.467531 0.438329 0.339502 ] [ 0.741405 0.364819 0.239455 ] [ 0.258595 0.635181 0.760545 ] [ 0.077088 0.739803 0.231471 ] [ 0.139392 0.744304 0.987029 ] [ 0.522875 0.129334 0.64971 ] [ 0.532469 0.561671 0.660498 ] [ 0.546623 0.993398 0.158198 ] [ 0.902518 0.929758 0.073505 ] [ 0.168818 0.057168 0.622475 ] [ 0.922912 0.260197 0.768529 ] [ 0.188916 0.346006 0.508186 ] [ 0.097482 0.070242 0.926495 ] [ 0.752778 0.326625 0.494799 ] [ 0.477125 0.870666 0.35029 ] [ 0.860608 0.255696 0.012971 ] [ 0.417316 0.337329 0.86152 ] [ 0.453377 0.006602 0.841802 ] [ 0.247222 0.673375 0.505201 ] [ 0.831182 0.942832 0.377525 ] ] } "species" { "source-value" [ "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.39972981 "source-unit" "angstrom" } "b" { "source-value" 7.77096836 "source-unit" "angstrom" } "c" { "source-value" 9.55720892 "source-unit" "angstrom" } "alpha" { "source-value" 109.53229809 "source-unit" "degree" } "beta" { "source-value" 111.7094676 "source-unit" "degree" } "gamma" { "source-value" 92.46479981 "source-unit" "degree" } }