{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.152516 0 0.141184 ] [ 0.239965 0.5 0.244189 ] [ 0.763894 0 0.739967 ] [ 0.869327 0.5 0.839859 ] [ 0.682855 0.750925 0.11751 ] [ 0.682855 0.249075 0.11751 ] [ 0.518512 0.750156 0.492916 ] [ 0.518512 0.249844 0.492916 ] [ 0.341843 0.748563 0.868822 ] [ 0.341843 0.251437 0.868822 ] [ 0.758129 0.5 0.056762 ] [ 0.97651 0.206907 0.146606 ] [ 0.97651 0.793093 0.146606 ] [ 0.589914 0 0.154362 ] [ 0.372336 0.306768 0.084733 ] [ 0.372336 0.693232 0.084733 ] [ 0.666931 0.305794 0.318563 ] [ 0.666931 0.694206 0.318563 ] [ 0.470644 0 0.433751 ] [ 0.264763 0.307863 0.393551 ] [ 0.264763 0.692137 0.393551 ] [ 0.567106 0.5 0.550992 ] [ 0.770505 0.807654 0.592308 ] [ 0.770505 0.192346 0.592308 ] [ 0.372683 0.808925 0.668424 ] [ 0.372683 0.191075 0.668424 ] [ 0.652125 0.805288 0.902089 ] [ 0.652125 0.194712 0.902089 ] [ 0.43353 0.5 0.828357 ] [ 0.049769 0.295848 0.836266 ] [ 0.049769 0.704152 0.836266 ] [ 0.262659 0 0.928381 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.20153966 "source-unit" "angstrom" } "b" { "source-value" 7.29583904 "source-unit" "angstrom" } "c" { "source-value" 9.13346434 "source-unit" "angstrom" } "beta" { "source-value" 93.58824263 "source-unit" "degree" } }