{ "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" [ [ 0.757352 0.980187 0.221479 ] [ 0.242648 0.019813 0.778521 ] [ 0.242648 0.480187 0.778521 ] [ 0.757352 0.519813 0.221479 ] [ 0.730123 0.25 0.59236 ] [ 0.269877 0.75 0.40764 ] [ 0.790162 0.75 0.656097 ] [ 0.209838 0.25 0.343903 ] [ 0.709721 0.75 0.944916 ] [ 0.290279 0.25 0.055084 ] [ 0.15623 0.934427 0.318067 ] [ 0.947956 0.75 0.894228 ] [ 0.492928 0.25 0.16535 ] [ 0.507072 0.75 0.83465 ] [ 0.15623 0.565573 0.318067 ] [ 0.181342 0.75 0.572142 ] [ 0.052044 0.25 0.105772 ] [ 0.84377 0.434427 0.681933 ] [ 0.84377 0.065573 0.681933 ] [ 0.416064 0.25 0.577855 ] [ 0.67179 0.75 0.084752 ] [ 0.32821 0.25 0.915248 ] [ 0.583936 0.75 0.422145 ] [ 0.818658 0.25 0.427858 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "P" "P" "W" "W" "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" 4.99824788641 "source-unit" "angstrom" } "b" { "source-value" 6.68968574 "source-unit" "angstrom" } "c" { "source-value" 8.81461620685 "source-unit" "angstrom" } "beta" { "source-value" 95.3912405411 "source-unit" "degree" } }