{ "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" [ 7.95826 7.425028 7.094552 6.854443 6.665747 6.510283 6.37808 6.263074 6.161302 6.070031 5.987294 5.911632 5.841928 5.777314 5.717095 5.660712 5.607705 5.557692 5.510354 5.465419 5.422654 5.38186 5.342862 5.30551 5.267748 5.228835 5.188697 5.147255 5.104422 5.0601 5.014182 4.96655 4.917071 4.865594 4.811953 4.755957 4.697389 4.636003 4.571513 4.503589 4.431844 4.355821 4.27498 4.188668 4.096089 3.996262 3.887955 3.769592 3.639114 3.493755 3.329677 3.141336 2.920292 2.65275 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.95826e-10 7.425028e-10 7.094552000000001e-10 6.854443e-10 6.665747e-10 6.510283000000001e-10 6.37808e-10 6.263074e-10 6.161302e-10 6.070031e-10 5.987294000000001e-10 5.911632e-10 5.841928000000001e-10 5.777314e-10 5.717095e-10 5.660712000000001e-10 5.607705000000001e-10 5.557692000000001e-10 5.510354000000001e-10 5.465419e-10 5.422654e-10 5.381859999999999e-10 5.342862000000001e-10 5.30551e-10 5.267748e-10 5.228835e-10 5.188697000000001e-10 5.147255000000001e-10 5.104422e-10 5.060100000000001e-10 5.014182000000001e-10 4.96655e-10 4.917071000000001e-10 4.865594e-10 4.811953e-10 4.755957000000001e-10 4.697389e-10 4.6360029999999997e-10 4.5715130000000007e-10 4.503589e-10 4.431844e-10 4.355821e-10 4.2749800000000006e-10 4.188668e-10 4.096089e-10 3.996262e-10 3.887955e-10 3.769592e-10 3.639114e-10 3.4937550000000005e-10 3.3296770000000003e-10 3.141336e-10 2.920292e-10 2.6527500000000005e-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" [ 1.29959 1.6899 1.91101 2.07247 2.21489 2.35108 2.47722 2.58316 2.67117 2.74503 2.80746 2.86045 2.90518 2.94261 2.97368 2.99945 3.02087 3.0387 3.05347 3.06548 3.07485 3.08158 3.08562 3.08695 3.08552 3.08096 3.07292 3.06105 3.04495 3.0241 2.99796 2.96598 2.92703 2.87918 2.82057 2.74571 2.64383 2.50588 2.32408 2.08822 1.78519 1.39853 0.902753 0.27397 -0.511854 -1.51288 -2.83482 -4.67779 -7.39383 -11.6112 -18.5549 -31.2673 -55.0672 -102.551 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0821727317800598e-19 2.7075182937966e-19 3.06177556934034e-19 3.32046300866598e-19 3.5486450048802596e-19 3.7668454406647197e-19 3.96894400127748e-19 4.1386785938834394e-19 4.27968615944178e-19 4.39802292562902e-19 4.49804681288964e-19 4.5829461527253e-19 4.65461151356412e-19 4.71458098497474e-19 4.7643606129931195e-19 4.805648704851299e-19 4.83996732835158e-19 4.8685341377358e-19 4.892198286619979e-19 4.91144042799432e-19 4.9264528230549e-19 4.93723547180172e-19 4.94370826540308e-19 4.9458391603263e-19 4.943548047739679e-19 4.93624212228864e-19 4.92336062215128e-19 4.9043427855057e-19 4.8785477416983e-19 4.845142358879399e-19 4.803261461666639e-19 4.75202385291132e-19 4.689619073017019e-19 4.61295492108012e-19 4.51905134856138e-19 4.39911240574014e-19 4.23588265026822e-19 4.0148623836079194e-19 3.7235866715467197e-19 3.3456972906514802e-19 2.86018970525046e-19 2.24069208794802e-19 1.446369762873402e-19 4.3894833241697995e-20 -8.20080518819436e-20 -2.4239009860459197e-19 -4.54188236559588e-19 -7.494645836758859e-19 -1.184622166176822e-18 -1.8603193332700797e-18 -2.97282272262066e-18 -5.009573746826819e-18 -8.82273811398048e-18 -1.64304815993334e-17 ] } }