{ "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" [ 5.87606 5.482342 5.238331 5.061044 4.921718 4.806929 4.709315 4.624399 4.549255 4.481863 4.420774 4.364907 4.313441 4.265732 4.221269 4.179637 4.140499 4.103572 4.068619 4.035441 4.003865 3.973744 3.944949 3.91737 3.898595 3.878834 3.85798 3.835904 3.812453 3.787445 3.760658 3.73182 3.70059 3.666536 3.629096 3.58752 3.540781 3.487411 3.425214 3.35068 3.25767 3.1339 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.87606e-10 5.482342000000001e-10 5.238331e-10 5.061044e-10 4.921718e-10 4.806929e-10 4.709315e-10 4.624399000000001e-10 4.5492549999999996e-10 4.481863e-10 4.420774e-10 4.364907e-10 4.3134410000000005e-10 4.265732e-10 4.2212690000000007e-10 4.1796369999999996e-10 4.1404990000000005e-10 4.103572e-10 4.068619e-10 4.035441e-10 4.003865e-10 3.973744e-10 3.944949e-10 3.91737e-10 3.898595e-10 3.878834e-10 3.8579800000000004e-10 3.8359040000000004e-10 3.812453e-10 3.787445e-10 3.760658e-10 3.73182e-10 3.70059e-10 3.666536e-10 3.629096e-10 3.58752e-10 3.540781e-10 3.487411e-10 3.425214e-10 3.3506800000000005e-10 3.2576700000000003e-10 3.1339000000000004e-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" [ 1.98147 2.61157 3.08203 3.46284 3.78314 4.05848 4.29833 4.50902 4.69502 4.85964 5.00544 5.13442 5.24821 5.34816 5.43538 5.51082 5.57531 5.62955 5.67416 5.70968 5.73662 5.75539 5.7664 5.77 5.76825 5.7625 5.75181 5.735 5.71056 5.67649 5.63019 5.56811 5.4854 5.37524 5.22779 5.02837 4.7542 4.36812 3.80567 2.94499 1.527 -1.10713 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.17466493497198e-19 4.1841964320553797e-19 4.93795645128702e-19 5.548081335280559e-19 6.0612585111507595e-19 6.50240182555632e-19 6.886683891221219e-19 7.224246486238679e-19 7.52225134016268e-19 7.786001657651759e-19 8.019599010888959e-19 8.22624775314228e-19 8.408559432325139e-19 8.56869698689344e-19 8.70843883291092e-19 8.82930703817988e-19 8.932631409306539e-19 9.019533469934699e-19 9.09100656957744e-19 9.14791588361712e-19 9.19107852213708e-19 9.22115137755726e-19 9.2387913422976e-19 9.24455917818e-19 9.2417553690705e-19 9.232542853425e-19 9.21541558520754e-19 9.18848299599e-19 9.149325799055039e-19 9.09473964113466e-19 9.020558862980458e-19 8.921095737541739e-19 8.7885797081436e-19 8.612083930142159e-19 8.375842985458859e-19 8.056336921106579e-19 7.6170681533628e-19 6.998499798508079e-19 6.09735555071478e-19 4.71839416536366e-19 2.4465237201179998e-19 -1.7738178168004198e-19 ] } }