{ "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" [ 3.113702088395136e-19 4.121935814098368e-19 4.877778656726976e-19 5.491364237194752e-19 6.008675024518656e-19 6.454272386295552e-19 6.843104630397504e-19 7.185185360704512e-19 7.487596197880513e-19 7.755592281241728e-19 7.993211095872576e-19 8.203656995014657e-19 8.389509483027457e-19 8.552899454816641e-19 8.695621348197505e-19 8.819165187427392e-19 8.92484475733536e-19 9.013813625088385e-19 9.087033096658946e-19 9.14538436918848e-19 9.189652509221184e-19 9.220526452704e-19 9.238631048519042e-19 9.244559102016e-19 9.241691205864768e-19 9.232206320269632e-19 9.214566355674625e-19 9.186848700134785e-19 9.14650589282304e-19 9.09026949343296e-19 9.01378158155597e-19 8.911162168993729e-19 8.774352307343615e-19 8.592024607896577e-19 8.347788803821824e-19 8.017179658119745e-19 7.56219354134496e-19 6.920826218272512e-19 5.985235180556352e-19 4.551399257303808e-19 2.184679974824256e-19 -2.2226515607372163e-19 ] } }