{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.75987 9.105923 8.700632 8.406167 8.174753 7.984094 7.821962 7.680921 7.55611 7.444176 7.342709 7.249918 7.164435 7.085192 7.011341 6.942194 6.877187 6.815852 6.757798 6.70269 6.650244 6.600214 6.552388 6.50658 6.475395 6.442574 6.407935 6.371267 6.332316 6.290778 6.246286 6.198387 6.146516 6.089953 6.027765 5.958709 5.881077 5.792432 5.689124 5.565324 5.410839 5.20526 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.75987e-10 9.105923000000001e-10 8.700632000000001e-10 8.406167e-10 8.174753000000001e-10 7.984094000000001e-10 7.821962000000001e-10 7.680921e-10 7.55611e-10 7.444176e-10 7.342709000000001e-10 7.249918000000001e-10 7.164435e-10 7.085192e-10 7.011341e-10 6.942194e-10 6.877187000000001e-10 6.815851999999999e-10 6.757798000000001e-10 6.70269e-10 6.650244e-10 6.600214000000001e-10 6.552388e-10 6.50658e-10 6.475395e-10 6.442574e-10 6.407935e-10 6.371266999999999e-10 6.332316e-10 6.290778000000001e-10 6.246286e-10 6.198387000000001e-10 6.146516e-10 6.089953e-10 6.027765e-10 5.958709e-10 5.881077e-10 5.792432e-10 5.689124e-10 5.565324000000001e-10 5.410839000000001e-10 5.20526e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0 1.34738 1.57646 1.71882 1.83185 1.92431 2.00139 2.06648 2.12193 2.16942 2.21023 2.24532 2.27548 2.30132 2.32335 2.34199 2.35759 2.37046 2.38084 2.38896 2.395 2.39915 2.40154 2.40232 2.40195 2.40075 2.39854 2.39511 2.39019 2.38342 2.37436 2.3624 2.34674 2.32628 2.29945 2.264 2.21652 2.15161 2.06028 1.92619 1.71633 1.35184 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.1587407353335042e-19 2.525767355626368e-19 2.753853219363456e-19 2.93494724281248e-19 3.083084493171648e-19 3.206580267102912e-19 3.310865943350784e-19 3.399706636974144e-19 3.475794004695936e-19 3.5411788325907843e-19 3.5973992102146563e-19 3.645720857097984e-19 3.687121100979456e-19 3.7224170519356804e-19 3.752281624147392e-19 3.7772755794318725e-19 3.797895592541568e-19 3.8145261858654723e-19 3.827535860026368e-19 3.837213006816e-19 3.8438620397923204e-19 3.847691241916032e-19 3.8489409396802563e-19 3.8483481343305597e-19 3.8464255223856e-19 3.842884712053632e-19 3.837389246244288e-19 3.8295065372699525e-19 3.8186598015471365e-19 3.804144081362688e-19 3.78498204897792e-19 3.759891963096192e-19 3.727111429434624e-19 3.684125030698561e-19 3.6273278694912e-19 3.551256523535616e-19 3.447259239079488e-19 3.3009324483018244e-19 3.0860965852187525e-19 2.749863799577664e-19 2.165886443062272e-19 ] } }