{ "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" [ 8.01474 7.477723 7.144901 6.903088 6.713053 6.556485 6.423343 6.307521 6.205027 6.113108 6.029784 5.953584 5.883386 5.818313 5.757666 5.700883 5.6475 5.597132 5.549458 5.504204 5.461136 5.420052 5.380777 5.34316 5.305131 5.265941 5.225518 5.183782 5.140645 5.096009 5.049766 5.001796 4.951965 4.900123 4.846101 4.789708 4.730725 4.668904 4.603956 4.53555 4.463295 4.386734 4.305319 4.218394 4.125158 4.024623 3.915548 3.796346 3.664942 3.518551 3.353309 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.01474e-10 7.477723e-10 7.144901e-10 6.903088000000001e-10 6.713053000000001e-10 6.556485e-10 6.423343e-10 6.307521000000001e-10 6.205027e-10 6.113108000000001e-10 6.029784e-10 5.953584e-10 5.883386e-10 5.818313e-10 5.757666e-10 5.700883e-10 5.6475e-10 5.597132e-10 5.549457999999999e-10 5.504204e-10 5.461136e-10 5.420052e-10 5.380777000000001e-10 5.34316e-10 5.305131e-10 5.265941e-10 5.225518000000001e-10 5.183782e-10 5.140645000000001e-10 5.096009e-10 5.049766e-10 5.001796e-10 4.951965e-10 4.900123e-10 4.846101e-10 4.789708e-10 4.730725e-10 4.668904000000001e-10 4.6039560000000003e-10 4.53555e-10 4.463295e-10 4.386734e-10 4.305319e-10 4.2183940000000003e-10 4.125158e-10 4.0246230000000003e-10 3.915548e-10 3.7963460000000003e-10 3.664942e-10 3.518551e-10 3.353309e-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" [ 0.762052 1.06248 1.27947 1.45385 1.60022 1.72354 1.82904 1.92018 1.99942 2.06859 2.12898 2.18249 2.23181 2.27508 2.31292 2.34574 2.374 2.39809 2.41824 2.43475 2.44785 2.45772 2.46217 2.46353 2.46204 2.45723 2.44855 2.43529 2.4166 2.39154 2.35884 2.31713 2.26459 2.19997 2.11986 2.02099 1.89905 1.74902 1.56413 1.33425 1.05155 0.699479 0.25892 -0.29678 -1.00316 -1.91306 -3.09111 -4.63701 -6.67946 -9.4023 -13.0029 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.220941908292968e-19 1.70228063009232e-19 2.0499369379039801e-19 2.3293244993409e-19 2.5638350932594796e-19 2.76141551576436e-19 2.93044515065136e-19 3.0764675290741197e-19 3.20342400555228e-19 3.3142465633260595e-19 3.4110020102533195e-19 3.49673448193866e-19 3.5757538335275394e-19 3.64508001648072e-19 3.7057063803112797e-19 3.75828981743916e-19 3.8035673291159997e-19 3.8421637642290593e-19 3.8744476234041597e-19 3.9008995596315e-19 3.9218880735368994e-19 3.93770155691448e-19 3.9448312429357795e-19 3.9470102031580197e-19 3.94462295997336e-19 3.9369164903638197e-19 3.9230095971807e-19 3.90176473501386e-19 3.8718200537243996e-19 3.8316695072763595e-19 3.7792783313445597e-19 3.71245154394042e-19 3.6282731835900597e-19 3.52474052950098e-19 3.39639015935124e-19 3.2379829555476597e-19 3.0426135367976997e-19 2.80223897639868e-19 2.5060125385384196e-19 2.1377041739144998e-19 1.6847688394827e-19 1.1206889097736859e-19 4.1483557407527994e-20 -4.7549398143851993e-20 -1.60723951216344e-19 -3.0650600314400396e-19 -4.95250421512374e-19 -7.42930907362434e-19 -1.0701674739737639e-18 -1.50641453658582e-18 -2.0832942554238598e-18 ] } }