{ "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" [ 8.17673 7.628858 7.289309 7.042609 6.848732 6.688999 6.553167 6.435004 6.330438 6.236661 6.151652 6.073913 6.002295 5.935907 5.874035 5.816103 5.761641 5.710256 5.661618 5.615449 5.57151 5.529596 5.489528 5.45115 5.425023 5.397526 5.368507 5.337786 5.305153 5.270354 5.233079 5.19295 5.149492 5.102105 5.050005 4.992151 4.927111 4.852845 4.766296 4.662578 4.533151 4.36092 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.17673e-10 7.628858e-10 7.289309000000001e-10 7.042609e-10 6.848732e-10 6.688999e-10 6.553167000000001e-10 6.435004e-10 6.330438e-10 6.236661e-10 6.151652000000001e-10 6.073913e-10 6.002295000000001e-10 5.935907e-10 5.874035e-10 5.816103e-10 5.761641000000001e-10 5.710256000000001e-10 5.661618e-10 5.615449e-10 5.57151e-10 5.529596e-10 5.489528e-10 5.45115e-10 5.425023e-10 5.397526e-10 5.368507000000001e-10 5.337786000000001e-10 5.305153e-10 5.270354000000001e-10 5.233079e-10 5.19295e-10 5.149492e-10 5.102105e-10 5.050005e-10 4.992150999999999e-10 4.927111e-10 4.852845000000001e-10 4.766296e-10 4.662578e-10 4.5331510000000003e-10 4.36092e-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" [ 0.938596 1.31099 1.59463 1.82071 2.00889 2.16873 2.3067 2.42797 2.53343 2.62515 2.70536 2.77553 2.83679 2.89003 2.93603 2.97543 3.00878 3.03656 3.05919 3.07703 3.09042 3.09964 3.10498 3.1067 3.10588 3.10319 3.09821 3.09035 3.07887 3.06286 3.04116 3.01225 2.97404 2.92365 2.85699 2.76818 2.64851 2.48273 2.24472 1.88841 1.31837 0.305174 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.503796567576397e-19 2.1004375281025923e-19 2.554878904826304e-19 2.9170989952567683e-19 3.218596591758912e-19 3.4746885028275844e-19 3.6957408111993605e-19 3.8900367700037767e-19 4.0590023164333444e-19 4.2059539560931205e-19 4.3344645428474885e-19 4.446889276329024e-19 4.545038616119232e-19 4.630338499410624e-19 4.704038623967424e-19 4.767164382826944e-19 4.820596973130624e-19 4.865105439656449e-19 4.901362696585153e-19 4.929945527500225e-19 4.951398672452737e-19 4.966170740896513e-19 4.974726364051584e-19 4.977482107839361e-19 4.976168323010304e-19 4.971858467900352e-19 4.963879628328768e-19 4.951286520089281e-19 4.932893532482496e-19 4.907242684783488e-19 4.872475452112129e-19 4.8261565260048e-19 4.764937357324032e-19 4.68420367740192e-19 4.577402583859392e-19 4.435113278166145e-19 4.243380801955008e-19 3.9777719617587845e-19 3.596437904242176e-19 3.0255663524849283e-19 2.112261591564096e-19 4.889426480760192e-20 ] } }