{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.796982 0.513584 0.200669 ] [ 0.796982 0.986416 0.200669 ] [ 0.203018 0.486416 0.799331 ] [ 0.203018 0.013584 0.799331 ] [ 0.257112 0.25 0.363471 ] [ 0.742888 0.75 0.636529 ] [ 0.275336 0.75 0.407223 ] [ 0.724664 0.25 0.592777 ] [ 0.257863 0.25 0.063497 ] [ 0.742137 0.75 0.936503 ] [ 0.727748 0.75 0.075577 ] [ 0.024894 0.25 0.128179 ] [ 0.479052 0.25 0.1547 ] [ 0.146015 0.935836 0.333549 ] [ 0.146015 0.564164 0.333549 ] [ 0.767627 0.25 0.422554 ] [ 0.590519 0.75 0.396947 ] [ 0.409481 0.25 0.603053 ] [ 0.232373 0.75 0.577446 ] [ 0.853985 0.435836 0.666451 ] [ 0.853985 0.064164 0.666451 ] [ 0.520948 0.75 0.8453 ] [ 0.975106 0.75 0.871821 ] [ 0.272252 0.25 0.924423 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Er" "Er" "P" "P" "C" "C" "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" 4.9076158 "source-unit" "angstrom" } "b" { "source-value" 6.73949818 "source-unit" "angstrom" } "c" { "source-value" 9.0884844 "source-unit" "angstrom" } "beta" { "source-value" 93.34905618 "source-unit" "degree" } }