{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Au" "Au" ] } "a" { "source-value" [ 4.49079 4.18989 4.003405 3.867913 3.761433 3.673706 3.599104 3.534207 3.476778 3.425274 3.378587 3.335891 3.296557 3.260096 3.226115 3.194298 3.164387 3.136165 3.109452 3.084096 3.059964 3.036944 3.014938 2.99386 2.979511 2.964409 2.948471 2.931599 2.913677 2.894564 2.874092 2.852053 2.828185 2.802159 2.773545 2.741771 2.70605 2.665262 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.4907899999999995e-10 4.18989e-10 4.003405e-10 3.867913e-10 3.7614329999999997e-10 3.6737060000000003e-10 3.599104e-10 3.534207e-10 3.476778e-10 3.425274e-10 3.378587e-10 3.335891e-10 3.296557e-10 3.260096e-10 3.226115e-10 3.194298e-10 3.164387e-10 3.136165e-10 3.109452e-10 3.0840960000000005e-10 3.059964e-10 3.036944e-10 3.014938e-10 2.99386e-10 2.9795110000000003e-10 2.964409e-10 2.9484710000000003e-10 2.931599e-10 2.913677e-10 2.894564e-10 2.874092e-10 2.8520530000000004e-10 2.828185e-10 2.8021590000000003e-10 2.773545e-10 2.741771e-10 2.70605e-10 2.665262e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 2.97238 4.44868 5.7492 6.94019 8.0474 9.08673 10.0644 10.9836 11.8471 12.6567 13.4145 14.1197 14.7723 15.3738 15.9241 16.4223 16.8657 17.2534 17.5844 17.8577 18.0724 18.228 18.3223 18.354 18.3381 18.2843 18.1824 18.0182 17.7726 17.4198 16.9233 16.2321 15.2728 13.9361 12.0548 9.36107 5.40793 -0.595949 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.762277744133504e-19 7.127571089420545e-19 9.21123382830336e-19 1.1119410161909953e-18 1.289335613822592e-18 1.4558546365521984e-18 1.6124946382379519e-18 1.759766713221888e-18 1.898114664427968e-18 2.027826883647936e-18 2.14923982797216e-18 2.262225323270976e-18 2.366783369544384e-18 2.463154293285504e-18 2.551322072728128e-18 2.631142511976384e-18 2.702183023342656e-18 2.764299410931072e-18 2.817331457079552e-18 2.8611189441260164e-18 2.895517676174592e-18 2.9204475443942404e-18 2.9355560699283838e-18 2.94063496981632e-18 2.9380875089892485e-18 2.9294677987693445e-18 2.9131416190033924e-18 2.8868338788898563e-18 2.8474844210830082e-18 2.790959629901184e-18 2.7114115606784642e-18 2.600669112648768e-18 2.4469723094154243e-18 2.232809360513088e-18 1.9313918728419842e-18 1.4998087499672257e-18 8.664459012922945e-19 -9.548155549891391e-20 ] } }