{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.866967 0.847838 0.211376 ] [ 0.866967 0.152162 0.711376 ] [ 0.780303 0.080415 0.420257 ] [ 0.780303 0.919585 0.920257 ] [ 0.225596 0.586952 0.080802 ] [ 0.225596 0.413048 0.580802 ] [ 0.112383 0.156441 0.162821 ] [ 0.102209 0.429379 0.314675 ] [ 0.112383 0.843559 0.662821 ] [ 0.102209 0.570621 0.814675 ] [ 0.509451 0.102264 0.139874 ] [ 0.500844 0.597195 0.345174 ] [ 0.509451 0.897736 0.639874 ] [ 0.500844 0.402805 0.845174 ] [ 0.814796 0.413352 0.061867 ] [ 0.814796 0.586648 0.561867 ] [ 0.186304 0.934995 0.430475 ] [ 0.186304 0.065005 0.930475 ] [ 0.960758 0.521967 0.147859 ] [ 0.960758 0.478033 0.647859 ] [ 0.780077 0.146504 0.070776 ] [ 0.709316 0.439627 0.465799 ] [ 0.780077 0.853496 0.570776 ] [ 0.624176 0.882459 0.286237 ] [ 0.709316 0.560373 0.965799 ] [ 0.624176 0.117541 0.786237 ] [ 0.366185 0.386636 0.218783 ] [ 0.250621 0.942459 0.044011 ] [ 0.366185 0.613364 0.718783 ] [ 0.252297 0.676862 0.422729 ] [ 0.250621 0.057541 0.544011 ] [ 0.252297 0.323138 0.922729 ] [ 0.058594 0.050143 0.33624 ] [ 0.058594 0.949857 0.83624 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "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" 6.68222786 "source-unit" "angstrom" } "b" { "source-value" 5.20760429 "source-unit" "angstrom" } "c" { "source-value" 10.70702883 "source-unit" "angstrom" } "beta" { "source-value" 97.51207532 "source-unit" "degree" } }