{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P3_2" } "basis-atom-coordinates" { "source-value" [ [ 0.71241 0.009808 0.834059 ] [ 0.732111 0.02593 0.166069 ] [ 0.293819 0.267889 0.499403 ] [ 0.297399 0.28759 0.167393 ] [ 0.97407 0.706181 0.832736 ] [ 0.990192 0.702601 0.500726 ] [ 0.629125 0.634839 0.00218 ] [ 0.603831 0.619944 0.668395 ] [ 0.653747 0.657287 0.336819 ] [ 0.00354 0.346253 0.670153 ] [ 0.005714 0.370875 0.335514 ] [ 0.016113 0.396169 0.001728 ] [ 0.380056 0.983887 0.335062 ] [ 0.365161 0.994286 0.668847 ] [ 0.342713 0.99646 0.003486 ] [ 0.994197 0.017619 0.99417 ] [ 0.66632 0.327753 0.165618 ] [ 0.672247 0.338567 0.832285 ] [ 0.023423 0.005803 0.327503 ] [ 0.661433 0.33368 0.498951 ] [ 0.982381 0.976577 0.660836 ] [ 0.336136 0.657557 0.504494 ] [ 0.342443 0.678578 0.171161 ] [ 0.321422 0.663864 0.837827 ] [ 0.882063 0.066392 0.681026 ] [ 0.924074 0.096926 0.307364 ] [ 0.888125 0.10853 0.995511 ] [ 0.556108 0.133477 0.176107 ] [ 0.559279 0.14709 0.835769 ] [ 0.542737 0.140957 0.487498 ] [ 0.859043 0.40178 0.154165 ] [ 0.866523 0.422631 0.842773 ] [ 0.85291 0.412189 0.502435 ] [ 0.172852 0.075926 0.640697 ] [ 0.184329 0.117937 0.01436 ] [ 0.220405 0.111875 0.328845 ] [ 0.587811 0.440721 0.169102 ] [ 0.59822 0.457263 0.820831 ] [ 0.577369 0.443892 0.50944 ] [ 0.89147 0.779595 0.662178 ] [ 0.933608 0.815671 0.347693 ] [ 0.903074 0.827148 0.97403 ] [ 0.215903 0.4661 0.506619 ] [ 0.219673 0.486105 0.155115 ] [ 0.204567 0.471914 0.852378 ] [ 0.528086 0.732653 0.519044 ] [ 0.5339 0.749802 0.173286 ] [ 0.513895 0.733568 0.821782 ] [ 0.266432 0.780327 0.488449 ] [ 0.267347 0.795433 0.185711 ] [ 0.250198 0.784097 0.839952 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 8.2513707 "source-unit" "angstrom" } "c" { "source-value" 9.46723059 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.411173275294118 "source-unit" "eV" } }