{ "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" [ 1.24559 1.77959 2.18959 2.52433 2.80622 3.04799 3.25777 3.44115 3.6022 3.74399 3.86305 3.95204 4.03397 4.11127 4.18142 4.24273 4.29493 4.33858 4.37426 4.40252 4.42382 4.43859 4.4472 4.45 4.44865 4.44421 4.43599 4.42313 4.40451 4.37868 4.34377 4.29723 4.23562 4.15415 4.04592 3.89945 3.70019 3.42432 3.02912 2.43479 1.47632 -0.254066 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9956551935440598e-19 2.85121751610006e-19 3.50810993604006e-19 4.0444225425052197e-19 4.49606011386348e-19 4.88341835866566e-19 5.219522972946179e-19 5.5133301240891e-19 5.771360670994799e-19 5.99853329592966e-19 6.189288445973699e-19 6.33186614463336e-19 6.463132476256979e-19 6.58698073006518e-19 6.69937342094028e-19 6.79760287037082e-19 6.881236490665619e-19 6.95117150073972e-19 7.008337163040839e-19 7.053614674717679e-19 7.087741037021879e-19 7.111405185906059e-19 7.125199926724798e-19 7.1296860213e-19 7.127523082844099e-19 7.12040941858914e-19 7.10723952665766e-19 7.086635535144419e-19 7.05680300621934e-19 7.01541878376312e-19 6.959486797470179e-19 6.884921496923819e-19 6.786211394503079e-19 6.655682064131099e-19 6.482278487033279e-19 6.2476076754513e-19 5.928357959360459e-19 5.4863654913388795e-19 4.853185285582079e-19 3.9009636466968597e-19 2.36532540830688e-19 -4.07058608693844e-20 ] } }