{ "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" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" [ 9.60659 8.962912 8.563987 8.274146 8.046366 7.858701 7.699115 7.560289 7.437438 7.327262 7.227389 7.136055 7.051914 6.973916 6.901224 6.833163 6.769177 6.708805 6.651662 6.59742 6.545797 6.496554 6.449479 6.40439 6.358807 6.311834 6.263383 6.213358 6.161653 6.108151 6.052724 5.995226 5.935499 5.873361 5.808609 5.741015 5.670318 5.596218 5.518371 5.436378 5.349773 5.258005 5.160421 5.056231 4.944478 4.823975 4.693236 4.550359 4.392857 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.606590000000002e-10 8.962912e-10 8.563987e-10 8.274146000000001e-10 8.046366000000001e-10 7.858701e-10 7.699115e-10 7.560289e-10 7.437438e-10 7.327262e-10 7.227389e-10 7.136055e-10 7.051914000000001e-10 6.973916e-10 6.901224e-10 6.833163e-10 6.769177000000001e-10 6.708805e-10 6.651662e-10 6.59742e-10 6.545797e-10 6.496554e-10 6.449479000000001e-10 6.40439e-10 6.358807e-10 6.311834e-10 6.263383e-10 6.213358000000001e-10 6.161653e-10 6.108151000000001e-10 6.052724000000001e-10 5.995226e-10 5.935499000000001e-10 5.873361000000001e-10 5.808609e-10 5.741015e-10 5.670318e-10 5.596218e-10 5.518371e-10 5.436378e-10 5.349773e-10 5.258005e-10 5.160421000000001e-10 5.056231e-10 4.944478e-10 4.823975e-10 4.693236e-10 4.5503590000000005e-10 4.392857e-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" [ 0.0188846 0.0283069 0.0365879 0.0441777 0.051272 0.0579177 0.064187 0.0700801 0.0756156 0.0808048 0.085659 0.0901878 0.0943789 0.0982305 0.101754 0.104944 0.107782 0.110262 0.112378 0.114123 0.115489 0.116469 0.117073 0.117277 0.117047 0.116277 0.114826 0.112524 0.109132 0.104355 0.09781 0.0890006 0.0772726 0.0617651 0.0413069 0.0143182 -0.0213502 -0.0687623 -0.132225 -0.217907 -0.334978 -0.497215 -0.726045 -1.05556 -1.542 -2.28212 -3.4502 -5.37928 -8.75103 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.02564648624364e-21 4.53526537609746e-21 5.862027846712859e-21 7.07804786838618e-21 8.2146800378448e-21 9.27943856350218e-21 1.0283891160655799e-20 1.122806987283834e-20 1.2114954748589041e-20 1.2946356247504319e-20 1.3724084829180598e-20 1.444967858318652e-20 1.512116683226226e-20 1.57382611846137e-20 1.6302788121603598e-20 1.6813882467849598e-20 1.7268580196578798e-20 1.7665920001810798e-20 1.80049405775652e-20 1.82845204001982e-20 1.85033777284026e-20 1.86603910385346e-20 1.8757162507228197e-20 1.87898469105618e-20 1.8752996847979798e-20 1.86296292471618e-20 1.8397153417568397e-20 1.80283323564216e-20 1.74848740421688e-20 1.6719514264107e-20 1.5670889657153998e-20 1.4259468173198038e-20 1.2380435416842839e-20 9.89586000166734e-21 6.61809500029746e-21 2.29402854809388e-21 -3.42067915712268e-21 -1.1016935036009819e-20 -2.1184780543065e-20 -3.4912550378503794e-20 -5.3669392450405195e-20 -7.966262550743099e-20 -1.16325233423253e-19 -1.69119356778504e-19 -2.470556369628e-19 -3.6563593399840796e-19 -5.5278298226268e-19 -8.618556723743519e-19 -1.402069578943302e-18 ] } }