{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 5.28 4.92622 4.706962 4.547659 4.422466 4.319322 4.23161 4.155308 4.087786 4.027231 3.972338 3.922139 3.875893 3.833024 3.793071 3.755663 3.720495 3.687313 3.655906 3.626094 3.597721 3.570655 3.544782 3.52 3.494947 3.469129 3.442499 3.415004 3.386586 3.35718 3.326716 3.295114 3.262286 3.228134 3.192545 3.155393 3.116536 3.075809 3.033023 2.987958 2.940357 2.88992 2.836285 2.77902 2.717597 2.651366 2.579509 2.50098 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.28e-10 4.92622e-10 4.706962e-10 4.5476590000000006e-10 4.422466e-10 4.319322e-10 4.23161e-10 4.155308e-10 4.0877860000000003e-10 4.027231e-10 3.972338e-10 3.9221390000000004e-10 3.8758930000000004e-10 3.833024e-10 3.793071e-10 3.7556630000000004e-10 3.720495e-10 3.6873130000000003e-10 3.655906e-10 3.626094e-10 3.597721e-10 3.570655e-10 3.5447820000000005e-10 3.52e-10 3.494947e-10 3.4691290000000004e-10 3.4424990000000005e-10 3.4150040000000003e-10 3.386586e-10 3.3571800000000004e-10 3.326716e-10 3.295114e-10 3.2622860000000004e-10 3.228134e-10 3.192545e-10 3.155393e-10 3.116536e-10 3.075809e-10 3.0330230000000004e-10 2.987958e-10 2.940357e-10 2.88992e-10 2.836285e-10 2.77902e-10 2.717597e-10 2.651366e-10 2.579509e-10 2.5009800000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.16391 1.73139 2.158 2.50134 2.78731 3.03036 3.2396 3.42124 3.57974 3.71844 3.83995 3.94631 4.0392 4.11998 4.18981 4.24966 4.30036 4.34264 4.37713 4.40438 4.42488 4.43906 4.44732 4.45 4.44713 4.43789 4.4212 4.39578 4.36012 4.31242 4.25051 4.17182 4.07322 3.95089 3.80017 3.61535 3.38931 3.11314 2.77558 2.36226 1.85464 1.2285 0.451708 -0.518964 -1.74263 -3.2953 -5.28827 -7.89829 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8647894060789398e-19 2.77399260234126e-19 3.4574971761719994e-19 4.0075885016895597e-19 4.46576295371454e-19 4.855171984608239e-19 5.190411423506399e-19 5.48143078730616e-19 5.73537578379516e-19 5.95759768293096e-19 6.152278165728299e-19 6.322685672520539e-19 6.4715118600528e-19 6.600935688547319e-19 6.712815682899539e-19 6.80870595444444e-19 6.88993630978824e-19 6.95767633787376e-19 7.012935409980419e-19 7.056594723256919e-19 7.08943934425392e-19 7.112158208924039e-19 7.1253921879208805e-19 7.1296860213e-19 7.125087774360419e-19 7.11028366226226e-19 7.083543334240799e-19 7.04281600420452e-19 6.98568238543608e-19 6.909258559994281e-19 6.81006780458334e-19 6.68399252525388e-19 6.52601790914148e-19 6.330023641504259e-19 6.08854357922778e-19 5.792429293731899e-19 5.430273287382539e-19 4.987800166370759e-19 4.44696942179772e-19 3.78475777543284e-19 2.97146087248176e-19 1.9682739948689997e-19 7.237160029908719e-20 -8.31471994687176e-20 -2.7920010677074197e-19 -5.2796526620202e-19 -8.472742628283179e-19 -1.265445568655586e-18 ] } }