{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.98492 7.449901 7.118317 6.877404 6.688076 6.532091 6.399444 6.284053 6.18194 6.090363 6.007349 5.931433 5.861496 5.796665 5.736244 5.679672 5.626487 5.576307 5.528811 5.483725 5.440817 5.399886 5.360757 5.32328 5.297766 5.270914 5.242575 5.212575 5.180708 5.146724 5.110323 5.071135 5.028697 4.982421 4.931543 4.875046 4.811532 4.739008 4.654488 4.553203 4.426812 4.25862 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.98492e-10 7.449901e-10 7.118317e-10 6.877404000000001e-10 6.688075999999999e-10 6.532091000000001e-10 6.399444e-10 6.284053000000001e-10 6.18194e-10 6.090363000000001e-10 6.007349e-10 5.931433e-10 5.861496e-10 5.796665e-10 5.736244e-10 5.679672e-10 5.626487e-10 5.576307e-10 5.528811e-10 5.483725e-10 5.440817e-10 5.399886000000001e-10 5.360757e-10 5.323279999999999e-10 5.297766000000001e-10 5.270914e-10 5.242575e-10 5.212575e-10 5.180708e-10 5.146724e-10 5.110323000000001e-10 5.071135e-10 5.028697e-10 4.982421000000001e-10 4.931543e-10 4.875046e-10 4.811532e-10 4.739008e-10 4.654488e-10 4.5532030000000003e-10 4.4268120000000004e-10 4.25862e-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" [ 1.42994 1.76473 2.00807 2.19993 2.35739 2.48971 2.60258 2.69981 2.78409 2.85741 2.92131 2.97699 3.02541 3.06735 3.10348 3.13435 3.16042 3.1821 3.19973 3.21363 3.22406 3.23126 3.23544 3.23679 3.23614 3.23401 3.23007 3.22392 3.21505 3.20279 3.18626 3.16429 3.13533 3.09722 3.04689 2.97979 2.88902 2.76355 2.58467 2.31795 1.89126 1.1162 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.2910164560219596e-19 2.8274091713188196e-19 3.21728283343638e-19 3.52467644243562e-19 3.77695517522526e-19 3.9889551874361397e-19 4.16979286411572e-19 4.3255724982395396e-19 4.4606039449530595e-19 4.578075535757939e-19 4.68045462267054e-19 4.76966381765166e-19 4.84724121026994e-19 4.914436498299899e-19 4.972323140086319e-19 5.021782332777899e-19 5.063551077626279e-19 5.0982862670514e-19 5.12653264110882e-19 5.14880289632142e-19 5.16551359861404e-19 5.17704927037884e-19 5.183746368708959e-19 5.18590930716486e-19 5.184867892352759e-19 5.18145525612234e-19 5.17514268018438e-19 5.16528929388528e-19 5.1510779871417e-19 5.131435301608859e-19 5.1049513218488395e-19 5.069751501199859e-19 5.02335246587922e-19 4.962293514357479e-19 4.88165596436826e-19 4.774149912226859e-19 4.62872033915868e-19 4.4276952368907e-19 4.14109788060078e-19 3.7137653287803e-19 3.0301325808188395e-19 1.7883495588708e-19 ] } }