{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" [ 13.6678 12.752006 12.184433 11.772061 11.447987 11.180986 10.953935 10.756419 10.581633 10.424879 10.282784 10.152838 10.033127 9.922155 9.818732 9.721898 9.630861 9.544968 9.463668 9.386494 9.313048 9.242986 9.17601 9.11186 9.047007 8.980176 8.911242 8.840068 8.766505 8.690385 8.611525 8.529721 8.444743 8.356335 8.26421 8.168041 8.067455 7.962029 7.851272 7.734617 7.611399 7.480836 7.341997 7.193761 7.034763 6.863317 6.677308 6.474029 6.249942 6.000297 5.718504 5.395043 5.015415 4.55593 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.3667800000000001e-09 1.2752006e-09 1.2184433e-09 1.1772061000000001e-09 1.1447987e-09 1.1180986e-09 1.0953935e-09 1.0756419e-09 1.0581633e-09 1.0424879000000001e-09 1.0282784e-09 1.0152838e-09 1.0033127000000002e-09 9.922155000000001e-10 9.818732e-10 9.721898e-10 9.630861e-10 9.544968000000002e-10 9.463668000000001e-10 9.386494e-10 9.313048000000001e-10 9.242986000000001e-10 9.17601e-10 9.11186e-10 9.047007000000001e-10 8.980176e-10 8.911242e-10 8.840068e-10 8.766505000000001e-10 8.690385e-10 8.611525e-10 8.529721e-10 8.444743000000001e-10 8.356335e-10 8.26421e-10 8.168041000000001e-10 8.067455000000001e-10 7.962029000000001e-10 7.851272e-10 7.734617000000001e-10 7.611399e-10 7.480836000000001e-10 7.341997e-10 7.193761e-10 7.034763e-10 6.863317000000001e-10 6.677308e-10 6.474029000000001e-10 6.249942e-10 6.000297e-10 5.718504000000001e-10 5.395043000000001e-10 5.015415e-10 4.55593e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.000455969 0.000912964 0.00136295 0.00179511 0.00220575 0.00259345 0.00295776 0.00329867 0.00361637 0.00391114 0.00418333 0.00443331 0.00466145 0.00486811 0.00505366 0.00521841 0.00536272 0.00548689 0.00559122 0.005676 0.0057415 0.00578799 0.0058157 0.00582489 0.00581475 0.00578139 0.00571966 0.00562325 0.00548444 0.00529367 0.00503908 0.00470586 0.00427542 0.00372423 0.00302231 0.00213116 0.00100078 -0.000434224 -0.00226055 -0.00459443 -0.00759391 -0.0114772 -0.0165509 -0.0232543 -0.0322315 -0.0444515 -0.0614168 -0.085543 -0.119597 -0.0607564 -0.108466 -0.123598 -0.166477 -0.0690756 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.30542877628346e-23 1.462729588483176e-22 2.1836866433102996e-22 2.8760832974597397e-22 3.5340011104454993e-22 4.1551649914473e-22 4.738853960979839e-22 5.28505199727678e-22 5.79406351389858e-22 6.266337120302759e-22 6.702433578311219e-22 7.10294569327854e-22 7.4684662705593e-22 7.79957209374174e-22 8.096855968180439e-22 8.360814568631939e-22 8.592024678684478e-22 8.79096695132826e-22 8.95812203955348e-22 9.093954574583998e-22 9.198897144111e-22 9.27338233582566e-22 9.3177786503538e-22 9.33250265362026e-22 9.316256582551498e-22 9.262807970041259e-22 9.163905606424438e-22 9.0094397571405e-22 8.78704161857496e-22 8.48139438210678e-22 8.073496232856719e-22 7.53961893487524e-22 6.84997802453628e-22 5.96687428564182e-22 4.842274462704539e-22 3.41449475531544e-22 1.6034263317745197e-22 -6.957035467220159e-23 -3.6218003899887e-22 -7.36108839254862e-22 -1.216678516269894e-21 -1.83885016637448e-21 -2.65174652516706e-21 -3.7257496100026196e-21 -5.1640556178771e-21 -7.121915464625099e-21 -9.84005618950512e-21 -1.37054995802262e-20 -1.9161551889649798e-20 -9.73424844459576e-21 -1.73781690783444e-20 -1.9802582760913198e-20 -2.66725559498418e-20 -1.106713122995304e-20 ] } }