{ "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 3.503129 3.485373 3.466634 3.446797 3.425725 3.403253 3.379184 3.353271 3.325209 3.294609 3.260967 3.223608 3.18161 3.133653 3.077765 3.010791 2.927216 2.816 ] "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 3.503129e-10 3.4853730000000004e-10 3.466634e-10 3.446797e-10 3.425725e-10 3.403253e-10 3.379184e-10 3.3532710000000003e-10 3.3252090000000003e-10 3.294609e-10 3.260967e-10 3.223608e-10 3.18161e-10 3.133653e-10 3.077765e-10 3.0107910000000003e-10 2.927216e-10 2.816e-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" [ 1.30297 1.83225 2.23073 2.55291 2.82242 3.05244 3.25124 3.42447 3.57619 3.70943 3.82654 3.9294 4.01951 4.09813 4.16629 4.22489 4.27468 4.31633 4.35039 4.37737 4.39773 4.41185 4.42009 4.42277 4.42147 4.41722 4.40933 4.39698 4.37909 4.35426 4.32064 4.27577 4.2163 4.13745 4.01178 3.80907 3.51193 3.10568 2.58794 1.92639 1.01142 -0.495934 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0875880888029797e-19 2.9355881376464996e-19 3.5740234827628197e-19 4.0902127507049393e-19 4.52201537533428e-19 4.89054804468696e-19 5.20906075952616e-19 5.486605817833979e-19 5.72968805674446e-19 5.94316207145862e-19 6.13079297706636e-19 6.295592865639599e-19 6.43996500212934e-19 6.56592812909442e-19 6.67513248846786e-19 6.76902003922026e-19 6.848792413827119e-19 6.915523070633219e-19 6.970093206787259e-19 7.01331993237258e-19 7.04594024864082e-19 7.0685629827129e-19 7.081764918177059e-19 7.086058751556179e-19 7.08397592193198e-19 7.07716667123748e-19 7.064525497595219e-19 7.04473861616532e-19 7.016075676183059e-19 6.9762936303608395e-19 6.922428451925759e-19 6.850538786358179e-19 6.7552573419342e-19 6.6289257143433e-19 6.4275801767485195e-19 6.10280295127038e-19 5.62673218624362e-19 4.975847928681119e-19 4.14633699819396e-19 3.08641704597126e-19 1.62047349116028e-19 -7.945738668061559e-20 ] } }