{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1a" } "basis-atom-coordinates" { "source-value" [ [ 0.013081 0.504545 0.272805 ] [ 0.513081 0.504545 0.227195 ] [ 0.486919 0.004545 0.772805 ] [ 0.986919 0.004545 0.727195 ] [ 0.19867 0.678138 0.928935 ] [ 0.80133 0.178138 0.071065 ] [ 0.30133 0.178138 0.428935 ] [ 0.69867 0.678138 0.571065 ] [ 0.037671 0.391021 0.859975 ] [ 0.962329 0.891021 0.140025 ] [ 0.462329 0.891021 0.359975 ] [ 0.537671 0.391021 0.640025 ] [ 0.988416 0.064586 0.387673 ] [ 0.011584 0.564586 0.612327 ] [ 0.488416 0.064586 0.112327 ] [ 0.511584 0.564586 0.887673 ] [ 0.727272 0.854386 0.684385 ] [ 0.076856 0.099059 0.491767 ] [ 0.931267 0.200929 0.907403 ] [ 0.068733 0.700929 0.092597 ] [ 0.923144 0.599059 0.508233 ] [ 0.568733 0.700929 0.407403 ] [ 0.576856 0.099059 0.008233 ] [ 0.423144 0.599059 0.991767 ] [ 0.605886 0.512906 0.693807 ] [ 0.394114 0.012906 0.306193 ] [ 0.894114 0.012906 0.193807 ] [ 0.105886 0.512906 0.806193 ] [ 0.772728 0.354386 0.184385 ] [ 0.272728 0.354386 0.315615 ] [ 0.431267 0.200929 0.592597 ] [ 0.227272 0.854386 0.815615 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "H" "H" "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" 6.39377347 "source-unit" "angstrom" } "b" { "source-value" 6.92610838 "source-unit" "angstrom" } "c" { "source-value" 7.70195157 "source-unit" "angstrom" } }