{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.03171 7.493555 7.160028 6.917703 6.727265 6.570365 6.436942 6.320874 6.218163 6.126049 6.042548 5.966187 5.895841 5.830629 5.769854 5.712951 5.659454 5.60898 5.561205 5.515855 5.472695 5.431525 5.392167 5.35447 5.328807 5.301797 5.273293 5.243117 5.211063 5.176881 5.140267 5.10085 5.058164 5.011617 4.960441 4.903613 4.839727 4.766779 4.681764 4.579886 4.452756 4.28358 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.03171e-10 7.493555e-10 7.160028e-10 6.917703000000001e-10 6.727265e-10 6.570365e-10 6.436942000000001e-10 6.320874e-10 6.218163e-10 6.126049e-10 6.042548e-10 5.966187e-10 5.895841e-10 5.830629e-10 5.769854e-10 5.712951000000001e-10 5.659454000000001e-10 5.60898e-10 5.561205e-10 5.515855000000001e-10 5.472695e-10 5.431525e-10 5.392167e-10 5.35447e-10 5.328807e-10 5.301797e-10 5.273293e-10 5.243117e-10 5.211063e-10 5.176881e-10 5.140267e-10 5.10085e-10 5.058164e-10 5.011617000000001e-10 4.960441e-10 4.903613000000001e-10 4.839727e-10 4.766779e-10 4.681764e-10 4.579886e-10 4.4527560000000003e-10 4.28358e-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" [ 0.649243 0.94912 1.17489 1.36569 1.52624 1.66117 1.77525 1.87194 1.95468 2.02672 2.09028 2.14651 2.19605 2.23942 2.27707 2.30946 2.33699 2.36004 2.37892 2.39392 2.40529 2.41322 2.41788 2.4194 2.41866 2.4162 2.41163 2.40443 2.39394 2.37934 2.35949 2.33293 2.29761 2.25063 2.18773 2.1023 1.98397 1.816 1.57076 1.19907 0.594982 -0.524668 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0402019558180545e-19 1.520657874333696e-19 1.882381290011712e-19 2.1880765892603523e-19 2.4453060457297924e-19 2.661487737174336e-19 2.8442640460752e-19 2.999178503540352e-19 3.131742597145344e-19 3.2471634009077765e-19 3.348997746925824e-19 3.4390881383134086e-19 3.5184599681078405e-19 3.587946368151936e-19 3.6482683179250564e-19 3.700162818672768e-19 3.7442707410433924e-19 3.7812009121528326e-19 3.811450006753536e-19 3.835482656065536e-19 3.853699404244032e-19 3.866404664846976e-19 3.8738708078999038e-19 3.8763061163635204e-19 3.875120505664128e-19 3.87117915117696e-19 3.8638572040199045e-19 3.8523215323501443e-19 3.8355146995979526e-19 3.812122920934272e-19 3.7803197150113924e-19 3.7377659039629446e-19 3.6811770257162885e-19 3.6059067680711047e-19 3.5051298586227843e-19 3.3682559099078405e-19 3.178670350368576e-19 2.9095527433728e-19 2.516634948887808e-19 1.9211219207026562e-19 9.532662501968257e-20 -8.406108032818945e-20 ] } }