{ "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 3.889489 3.860757 3.83112 3.800522 3.768895 3.73617 3.702267 3.667097 3.630564 3.592556 3.552949 3.511604 3.468361 3.423036 3.37542 3.325267 3.272294 3.216162 3.156473 3.092743 3.024387 2.950679 2.87071 2.783317 2.686978 2.579651 2.458503 2.31944 2.156231 1.95869 ] "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 3.8894890000000005e-10 3.860757e-10 3.83112e-10 3.800522e-10 3.768895e-10 3.73617e-10 3.702267e-10 3.6670970000000003e-10 3.6305640000000003e-10 3.592556e-10 3.552949e-10 3.5116040000000003e-10 3.468361e-10 3.423036e-10 3.37542e-10 3.325267e-10 3.2722940000000003e-10 3.2161620000000005e-10 3.156473e-10 3.0927430000000003e-10 3.024387e-10 2.950679e-10 2.87071e-10 2.783317e-10 2.686978e-10 2.5796510000000003e-10 2.458503e-10 2.3194400000000004e-10 2.156231e-10 1.95869e-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 5.76601 5.75304 5.72943 5.69316 5.6418 5.57245 5.48155 5.36478 5.21683 5.03114 4.79954 4.51181 4.15504 3.71272 3.16364 2.48013 1.62576 0.551759 -0.80795 -2.54473 -4.78711 -7.72027 -11.6178 -16.8964 -24.2141 -34.6553 -50.1044 -74.0606 -113.604 -184.826 ] "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 9.23816649341034e-19 9.21738626246736e-19 9.17955887213862e-19 9.121447925623439e-19 9.0391601337012e-19 8.9280491841333e-19 8.7824113281027e-19 8.595325162550519e-19 8.358283129550219e-19 8.060774950382759e-19 7.68971084194836e-19 7.228716559047539e-19 6.657108001335359e-19 5.94843323258448e-19 5.06871008638776e-19 3.97360633528242e-19 2.60475468449184e-19 8.840153773992059e-20 -1.2944786114403e-19 -4.07710694583882e-19 -7.66979578638774e-19 -1.236923620217118e-18 -1.86137676984852e-18 -2.7071017278717598e-18 -3.8795265233339396e-18 -5.552391190426019e-18 -8.027609894058959e-18 -1.1865816282002038e-17 -1.82013674328936e-17 -2.9612389855568397e-17 ] } }