{ "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" [ 6.01034 5.607624 5.358037 5.176699 5.034189 4.916777 4.816932 4.730076 4.653215 4.584283 4.521797 4.464654 4.412012 4.363213 4.317733 4.275151 4.235118 4.197347 4.161596 4.127659 4.095361 4.064552 4.0351 4.00689 3.987685 3.967474 3.946143 3.923561 3.899574 3.873995 3.846595 3.817098 3.785155 3.750322 3.712026 3.6695 3.621692 3.567103 3.503484 3.427245 3.33211 3.20551 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.010340000000001e-10 5.607624000000001e-10 5.358037000000001e-10 5.176699e-10 5.034189e-10 4.916777e-10 4.816932000000001e-10 4.730076000000001e-10 4.6532150000000007e-10 4.584283e-10 4.5217970000000004e-10 4.4646540000000004e-10 4.412012e-10 4.363213e-10 4.3177329999999997e-10 4.2751510000000003e-10 4.235118e-10 4.197347e-10 4.1615960000000007e-10 4.1276590000000005e-10 4.0953609999999996e-10 4.0645520000000003e-10 4.0351e-10 4.0068900000000003e-10 3.987685e-10 3.9674740000000005e-10 3.946143e-10 3.923561e-10 3.899574e-10 3.873995e-10 3.8465950000000004e-10 3.817098e-10 3.785155e-10 3.750322e-10 3.7120259999999997e-10 3.6695e-10 3.621692e-10 3.567103e-10 3.503484e-10 3.427245e-10 3.3321100000000004e-10 3.20551e-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" [ -0.490413 -0.67059 -0.713653 -0.670712 -0.582209 -0.474341 -0.208078 -0.0229199 0.159373 0.332227 0.491919 0.636667 0.766051 0.880426 0.980506 1.06715 1.14123 1.20357 1.25486 1.29572 1.32662 1.34798 1.36016 1.36383 1.36274 1.36182 1.35003 1.24302 1.07597 0.901626 0.713197 0.505076 0.272766 0.0109768 -0.287238 -0.631384 -1.04415 -1.54613 -2.18019 -3.05801 -4.30677 -6.28313 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -7.857282431363905e-20 -1.0744036201422721e-19 -1.1433981519637824e-19 -1.0745990856900096e-19 -9.328016482193473e-20 -7.599780604868929e-20 -3.333777069028224e-20 -3.672172793107392e-21 2.5534369458675838e-20 5.322863321985216e-20 7.881411211273153e-20 1.0200529826348737e-19 1.227349002540461e-19 1.410597953544461e-19 1.5709437897541248e-19 1.70976278088672e-19 1.8284520249555841e-19 1.9283317154962562e-19 2.0105073543770882e-19 2.075972291102976e-19 2.125479548685696e-19 2.159702041305984e-19 2.1792165525473283e-19 2.1850965407456644e-19 2.1833501682289925e-19 2.181876165737856e-19 2.1629865033786243e-19 1.9915375831868162e-19 1.7238939786821762e-19 1.4445640979054208e-19 1.1426675594246977e-19 8.092209589271808e-20 4.3701930814913284e-20 1.758677233119744e-21 -4.602060082053504e-20 -1.0115886835471872e-19 -1.67291271860832e-19 -2.477173338717504e-19 -3.4930494469019525e-19 -4.899472128172608e-19 -6.900206205162817e-19 -1.0066683991447104e-18 ] } }