{ "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" [ 8.28019 7.725387 7.381543 7.131721 6.935392 6.773639 6.636088 6.51643 6.410541 6.315578 6.229494 6.150771 6.078248 6.011019 5.948364 5.8897 5.834549 5.782514 5.733261 5.686508 5.642013 5.599568 5.558993 5.52013 5.493673 5.465827 5.436441 5.405331 5.372285 5.337045 5.299298 5.258661 5.214654 5.166667 5.113907 5.055321 4.989458 4.914252 4.826607 4.721576 4.590511 4.4161 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.28019e-10 7.725387e-10 7.381543e-10 7.131721e-10 6.935392e-10 6.773639e-10 6.636088e-10 6.51643e-10 6.410541e-10 6.315578000000001e-10 6.229494e-10 6.150771e-10 6.078248000000001e-10 6.011019e-10 5.948364e-10 5.889700000000001e-10 5.834549e-10 5.782514e-10 5.733261e-10 5.686508e-10 5.642013000000001e-10 5.599568e-10 5.558993e-10 5.520130000000001e-10 5.493673e-10 5.465827e-10 5.436441000000001e-10 5.405331e-10 5.372285e-10 5.337045e-10 5.299298000000001e-10 5.258661000000001e-10 5.214654e-10 5.166667e-10 5.113907e-10 5.055321000000001e-10 4.989458e-10 4.914252e-10 4.826607e-10 4.721576e-10 4.590511e-10 4.4161000000000004e-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" [ 0.857022 1.07378 1.22476 1.37009 1.50186 1.60642 1.69137 1.76607 1.83261 1.89164 1.9435 1.98841 2.02648 2.05776 2.08237 2.10071 2.11355 2.12208 2.12782 2.13194 2.13498 2.13713 2.13842 2.13886 2.13864 2.13792 2.1366 2.13454 2.13162 2.12764 2.12235 2.11539 2.10634 2.09464 2.07973 2.06114 2.03843 2.01038 1.97254 1.91805 1.82671 1.50071 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3731006119112576e-19 1.720385211882624e-19 1.9622818380910081e-19 2.195126166391872e-19 2.406244979714688e-19 2.573768567185536e-19 2.709873471122496e-19 2.829556064696256e-19 2.936164897044288e-19 3.030741382970112e-19 3.1138302625248e-19 3.185784014564928e-19 3.246778878518784e-19 3.2968949632174083e-19 3.336324529855296e-19 3.365708449080768e-19 3.3862803968918405e-19 3.3999469634672642e-19 3.409143457270656e-19 3.4157444249483526e-19 3.4206150418755845e-19 3.424059721610304e-19 3.426126529451136e-19 3.4268314871642887e-19 3.4264790083077126e-19 3.425325441140736e-19 3.42321056800128e-19 3.419910084162432e-19 3.415231728429696e-19 3.408855065478912e-19 3.4003795511548804e-19 3.3892284018741123e-19 3.374728703455872e-19 3.355983236992512e-19 3.3320947835763845e-19 3.3023103201957123e-19 3.265924889137344e-19 3.2209838349239043e-19 3.160357471592832e-19 3.0730548675254404e-19 2.9267120549815684e-19 2.404402476600768e-19 ] } }