{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "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" [ 1.94342 2.57271 3.04447 3.42744 3.75032 4.02844 4.27113 4.48464 4.67339 4.84066 4.98897 5.12032 5.23632 5.3383 5.42738 5.50449 5.57045 5.62598 5.67168 5.7081 5.73573 5.755 5.7663 5.77 5.76821 5.76229 5.75128 5.73398 5.7088 5.6737 5.62596 5.56191 5.47652 5.36272 5.21028 5.00393 4.71995 4.31964 3.73569 2.84076 1.36357 -1.38727 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.11370211404828e-19 4.1219358480581393e-19 4.877778696913979e-19 5.491364282436959e-19 6.0086750740228795e-19 6.454272439470959e-19 6.84310468677642e-19 7.185185419901759e-19 7.48759625956926e-19 7.755592345138439e-19 7.993211161726979e-19 8.20365706260288e-19 8.389509552146879e-19 8.5528995252822e-19 8.69562141983892e-19 8.819165260086658e-19 8.9248448308653e-19 9.01381369935132e-19 9.08703317152512e-19 9.145384444535399e-19 9.18965258493282e-19 9.22052652867e-19 9.2386311246342e-19 9.24455917818e-19 9.24169128200514e-19 9.23220639633186e-19 9.21456643159152e-19 9.18684877582332e-19 9.1465059681792e-19 9.0902695683258e-19 9.01378165581864e-19 8.91116224241094e-19 8.774352379633679e-19 8.59202467868448e-19 8.347788872597519e-19 8.01717972417162e-19 7.562193603648299e-19 6.9208262752917595e-19 5.985235229867459e-19 4.551399294801839e-19 2.18467999282338e-19 -2.2226515790491797e-19 ] } }