{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 8.05935 7.519344 7.184669 6.941511 6.750418 6.592978 6.459095 6.342629 6.239564 6.147133 6.063346 5.986722 5.916133 5.850697 5.789713 5.732614 5.678934 5.628286 5.580346 5.53484 5.491532 5.45022 5.410727 5.3729 5.347148 5.320046 5.291443 5.261164 5.228999 5.194699 5.157959 5.118406 5.075573 5.028865 4.977513 4.920489 4.856384 4.783184 4.697877 4.595647 4.468079 4.29832 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.059350000000001e-10 7.519344000000001e-10 7.184669e-10 6.941511000000001e-10 6.750418e-10 6.592978e-10 6.459094999999999e-10 6.342629e-10 6.239564e-10 6.147133000000001e-10 6.063346e-10 5.986722e-10 5.916133e-10 5.850697e-10 5.789713e-10 5.732614e-10 5.678934e-10 5.628286000000001e-10 5.580346e-10 5.53484e-10 5.491532000000001e-10 5.45022e-10 5.410727e-10 5.3729e-10 5.347148e-10 5.320045999999999e-10 5.291443e-10 5.261164e-10 5.228999e-10 5.194699e-10 5.157959000000001e-10 5.118406e-10 5.075573e-10 5.028865e-10 4.977513000000001e-10 4.920489e-10 4.856384e-10 4.783184000000001e-10 4.697877e-10 4.5956469999999996e-10 4.4680790000000003e-10 4.2983200000000007e-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" [ 0.884928 1.2672 1.54823 1.77049 1.95232 2.11156 2.2479 2.36572 2.46814 2.55745 2.63544 2.70348 2.7627 2.81402 2.85819 2.89903 2.93399 2.96351 2.98801 3.00784 3.02333 3.03474 3.04233 3.04597 3.0444 3.04083 3.03485 3.02591 3.01331 2.99615 2.97323 2.94297 2.9032 2.85092 2.78181 2.68951 2.56427 2.39083 2.14395 1.77249 1.16891 0.0793188 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4178109526913025e-19 2.0302782138777602e-19 2.480537909621184e-19 2.836637685360192e-19 3.127961460320256e-19 3.383092065416448e-19 3.6015328258963205e-19 3.790301275358976e-19 3.954396204861312e-19 4.09748659886496e-19 4.222440353521152e-19 4.331452450800384e-19 4.42633335028416e-19 4.508557054463616e-19 4.579325195804353e-19 4.644758088997825e-19 4.700770183660992e-19 4.748066437507008e-19 4.787319764716608e-19 4.819090927107072e-19 4.843908642963265e-19 4.862189478206593e-19 4.874349998758464e-19 4.880181921658177e-19 4.87766650436352e-19 4.871946733827265e-19 4.86236571763488e-19 4.848042258644928e-19 4.827854833222848e-19 4.800361482409921e-19 4.763639594261185e-19 4.715157729715776e-19 4.651439165506561e-19 4.5676773717711365e-19 4.456950945507649e-19 4.309070043407808e-19 4.1084134434188166e-19 3.830531930307264e-19 3.43498656616416e-19 2.839842038601792e-19 1.872800273819328e-19 1.2708272694991103e-20 ] } }