{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.44734 7.881337 7.530551 7.275686 7.075393 6.910375 6.770047 6.647973 6.539947 6.443066 6.355245 6.274932 6.200945 6.132359 6.068439 6.008591 5.952327 5.899241 5.848993 5.801296 5.755903 5.712602 5.671208 5.63156 5.591478 5.550173 5.507569 5.46358 5.418114 5.371068 5.322329 5.27177 5.21925 5.16461 5.107672 5.048235 4.986069 4.92091 4.852457 4.780359 4.704204 4.62351 4.537701 4.446084 4.347816 4.241854 4.126892 4.001256 3.862759 3.708467 3.534306 3.334391 3.099763 2.81578 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.447340000000001e-10 7.881337000000001e-10 7.530551000000001e-10 7.275686000000001e-10 7.075393e-10 6.910375000000001e-10 6.770047e-10 6.647973000000001e-10 6.539947e-10 6.443066e-10 6.355245e-10 6.274932e-10 6.200945000000001e-10 6.132359000000001e-10 6.068438999999999e-10 6.008591000000001e-10 5.952327000000001e-10 5.899241e-10 5.848993e-10 5.801296e-10 5.755903000000001e-10 5.712602e-10 5.671208e-10 5.63156e-10 5.591478000000001e-10 5.550173e-10 5.507569e-10 5.46358e-10 5.418114e-10 5.371068e-10 5.322329e-10 5.27177e-10 5.21925e-10 5.16461e-10 5.107672e-10 5.048235e-10 4.986068999999999e-10 4.92091e-10 4.852457e-10 4.780359e-10 4.704204e-10 4.6235099999999997e-10 4.5377010000000006e-10 4.446084e-10 4.347816e-10 4.241854e-10 4.126892e-10 4.001256e-10 3.862759e-10 3.7084670000000005e-10 3.534306e-10 3.334391e-10 3.099763e-10 2.81578e-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" [ 0.855386 0.953225 1.07009 1.20088 1.33787 1.47544 1.60884 1.73405 1.84791 1.94874 2.03672 2.11307 2.17927 2.23669 2.2864 2.32916 2.36545 2.39565 2.42006 2.43907 2.45311 2.46262 2.46803 2.46975 2.46798 2.46242 2.45271 2.43848 2.41932 2.39476 2.36425 2.32729 2.28344 2.23228 2.1734 2.10625 2.02999 1.94337 1.84464 1.73142 1.60049 1.44695 1.26271 1.03433 0.740564 0.347873 -0.199322 -1.00164 -2.24585 -4.25268 -7.54938 -13.0684 -22.7217 -40.3747 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.370479462250724e-19 1.52723482194465e-19 1.7144731942770598e-19 1.9240218762379199e-19 2.1435040533295797e-19 2.36391549286896e-19 2.57764585584456e-19 2.7782543921877e-19 2.9606782237349395e-19 3.1222256937411594e-19 3.2631851940004796e-19 3.38551138000638e-19 3.4915754731771793e-19 3.5835724555014597e-19 3.6632166559775997e-19 3.7317257288474395e-19 3.7898687188953e-19 3.8382544532420994e-19 3.8773635848780396e-19 3.90782096269038e-19 3.93031552263174e-19 3.9455522224210793e-19 3.95421999801102e-19 3.9569757418215e-19 3.9541398891793196e-19 3.945231787094279e-19 3.92967465197814e-19 3.90687567847632e-19 3.8761779741688794e-19 3.8368285160378403e-19 3.7879461069345e-19 3.72872965854186e-19 3.65847421314096e-19 3.5765068565455195e-19 3.4821706963355997e-19 3.3745845353625e-19 3.25240254525366e-19 3.1136220052165797e-19 2.95543910614176e-19 2.7740406676402797e-19 2.5642676809506596e-19 2.3182694805663e-19 2.02308445751814e-19 1.6571793578452198e-19 1.186514336781576e-19 5.57353992199482e-20 -3.1934905104214795e-20 -1.60480420367976e-19 -3.5982483934688995e-19 -6.813544527879119e-19 -1.2095440237186919e-18 -2.09378851237656e-18 -3.6404176824757796e-18 -6.4687400944759794e-18 ] } }