{ "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 10.0801 9.404691 8.986099 8.68197 8.442961 8.246045 8.078592 7.932922 7.804015 7.688407 7.58361 7.487774 7.399485 7.317642 7.241367 7.16995 7.10281 7.039462 6.979502 6.922586 6.868418 6.816747 6.767352 6.72004 6.687832 6.653934 6.618159 6.580288 6.540059 6.497158 6.451207 6.401737 6.348164 6.289746 6.225518 6.154196 6.074017 5.982464 5.875768 5.747906 5.588353 5.37603 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0080100000000001e-09 9.404691e-10 8.986098999999999e-10 8.68197e-10 8.442961000000001e-10 8.246045000000001e-10 8.078592000000001e-10 7.932922e-10 7.804015e-10 7.688407e-10 7.583610000000001e-10 7.487774e-10 7.399485000000001e-10 7.317642000000001e-10 7.241367e-10 7.169950000000001e-10 7.10281e-10 7.039462000000001e-10 6.979502e-10 6.922586e-10 6.868418e-10 6.816747e-10 6.767352e-10 6.72004e-10 6.687832e-10 6.653934e-10 6.618159e-10 6.580288000000001e-10 6.540059e-10 6.497158e-10 6.451207000000001e-10 6.401737e-10 6.348164e-10 6.289746000000001e-10 6.225518e-10 6.154196e-10 6.074017e-10 5.982464000000001e-10 5.875768e-10 5.747906e-10 5.588353e-10 5.37603e-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" [ 1.87627 2.49514 2.88398 3.16635 3.38716 3.567 3.71492 3.83709 3.93912 4.03336 4.12403 4.20839 4.28488 4.3527 4.41183 4.46279 4.50611 4.54227 4.57177 4.59504 4.6125 4.62454 4.63152 4.63377 4.63281 4.62999 4.6255 4.6195 4.61152 4.60071 4.58589 4.56543 4.53703 4.4974 4.44186 4.36432 4.25588 4.10261 3.8813 3.55025 3.02626 2.1274 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.0061159283084164e-19 3.9976549736229124e-19 4.620645330854784e-19 5.07305194327008e-19 5.426828562908929e-19 5.714964006393601e-19 5.951957972142337e-19 6.147695889905472e-19 6.311165970525696e-19 6.462155095269888e-19 6.607424449477825e-19 6.742584069208512e-19 6.865134558933505e-19 6.97379417735616e-19 7.068530880944065e-19 7.150177801540032e-19 7.219584092753088e-19 7.2775187993612165e-19 7.324783009674817e-19 7.362065659640833e-19 7.390039663440001e-19 7.409329869954432e-19 7.420513062767617e-19 7.424117960164417e-19 7.422579870608449e-19 7.418061732537793e-19 7.4108679595104e-19 7.401254899785601e-19 7.388469530351616e-19 7.371150001080769e-19 7.347405743560513e-19 7.314625209898945e-19 7.269123393868224e-19 7.205629134385921e-19 7.116644244866689e-19 6.992411469689857e-19 6.818671436930305e-19 6.573105826260289e-19 6.218528118311041e-19 5.6881275479952e-19 4.848603020462208e-19 3.4084705430899206e-19 ] } }