{ "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 5.334659 5.295251 5.254603 5.212635 5.169258 5.124373 5.077872 5.029636 4.979528 4.927397 4.873075 4.816368 4.757056 4.694891 4.629582 4.560795 4.488138 4.41115 4.329283 4.241874 4.148119 4.047024 3.937342 3.817476 ] "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 5.334659000000001e-10 5.295251e-10 5.254603000000001e-10 5.212635e-10 5.169258e-10 5.124373e-10 5.077872e-10 5.029636e-10 4.979528e-10 4.927397e-10 4.873075e-10 4.816368e-10 4.757056e-10 4.694891e-10 4.629582e-10 4.560795e-10 4.4881380000000005e-10 4.4111500000000003e-10 4.3292830000000005e-10 4.241874e-10 4.148119e-10 4.0470240000000005e-10 3.9373420000000004e-10 3.817476e-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 3.043 3.03578 3.02361 3.00562 2.9808 2.94792 2.90553 2.85186 2.78476 2.70162 2.5992 2.47352 2.32081 2.13432 1.90568 1.62473 1.27545 0.841474 0.305215 -0.368058 -1.22175 -2.31602 -3.74507 -5.61932 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.417810964372352e-19 2.0302782306048e-19 2.48053793005782e-19 2.8366377087306596e-19 3.12796148609088e-19 3.3830920932890397e-19 3.6015328555685997e-19 3.79030130658648e-19 3.95439623744076e-19 4.0974866326232995e-19 4.22244038830896e-19 4.3314524864863196e-19 4.4263333867518e-19 4.50855709160868e-19 4.579325233532459e-19 4.6447581272650205e-19 4.70077022238966e-19 4.74806647662534e-19 4.78731980415834e-19 4.81909096681056e-19 4.84390868287122e-19 4.86218951826516e-19 4.87435003891722e-19 4.8801819618649795e-19 4.875423497262e-19 4.863855781964519e-19 4.84435729232874e-19 4.81553413468308e-19 4.775768110627199e-19 4.7230885429012795e-19 4.65517227538602e-19 4.569183455439239e-19 4.46167740329784e-19 4.32847243794708e-19 4.1643775070928e-19 3.96301594773168e-19 3.7183475539535393e-19 3.4195576334788804e-19 3.05323596788112e-19 2.60310444255882e-19 2.0434961878353e-19 1.348189980918516e-19 4.8900834134630996e-20 -5.89693927556772e-20 -1.9574593025894997e-19 -3.71067312787668e-19 -6.000263646694379e-19 -9.00314320296888e-19 ] } }