{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.96845 7.434534 7.103635 6.863219 6.674281 6.518617 6.386244 6.271091 6.169189 6.077801 5.994958 5.919199 5.849406 5.784708 5.724412 5.667957 5.614882 5.564806 5.517407 5.472414 5.429594 5.388748 5.3497 5.3123 5.286839 5.260042 5.231762 5.201824 5.170022 5.136109 5.099783 5.060676 5.018326 4.972146 4.921373 4.864992 4.801609 4.729235 4.64489 4.543814 4.417684 4.24984 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.968450000000001e-10 7.434534e-10 7.103635e-10 6.863219e-10 6.674281e-10 6.518617e-10 6.386244e-10 6.271091e-10 6.169189e-10 6.077801e-10 5.994958e-10 5.919199e-10 5.849406e-10 5.784708e-10 5.724412e-10 5.667957e-10 5.614882e-10 5.564806e-10 5.517407e-10 5.472414e-10 5.429594e-10 5.388748e-10 5.349700000000001e-10 5.312299999999999e-10 5.286839e-10 5.260042e-10 5.231762e-10 5.201824e-10 5.170022000000001e-10 5.136109e-10 5.099783e-10 5.060676000000001e-10 5.018326e-10 4.972146000000001e-10 4.921373e-10 4.864992e-10 4.801609e-10 4.729235e-10 4.6448900000000006e-10 4.543814e-10 4.417684000000001e-10 4.24984e-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" [ 0.890926 1.21642 1.45851 1.65231 1.81324 1.94978 2.06721 2.16911 2.25802 2.33584 2.40403 2.46375 2.51594 2.56136 2.60065 2.63435 2.66292 2.68677 2.70624 2.72163 2.73322 2.74125 2.74593 2.74745 2.74671 2.74431 2.73986 2.7329 2.72283 2.70888 2.69002 2.66491 2.63169 2.58779 2.52954 2.4515 2.34538 2.1978 1.98591 1.66732 1.15382 0.227314 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4274208198230838e-19 1.94891970113028e-19 2.33679064245534e-19 2.64729247412454e-19 2.90513075983416e-19 3.12389195744052e-19 3.31203555957114e-19 3.4752973585757397e-19 3.61774688310468e-19 3.7424282687625597e-19 3.85168069343502e-19 3.9473626820175e-19 4.0309802805459598e-19 4.10375114326224e-19 4.1667006632120996e-19 4.2206940157778997e-19 4.26646820221128e-19 4.3046801149321797e-19 4.33587449399616e-19 4.36053199239342e-19 4.37910121958148e-19 4.3919666979525e-19 4.39946488459962e-19 4.4019001930833e-19 4.40071458237414e-19 4.39686935845254e-19 4.38973967243124e-19 4.378588523058599e-19 4.36245460435422e-19 4.34010424030992e-19 4.3098871889926798e-19 4.2696565337129396e-19 4.2164322259314595e-19 4.14609667169886e-19 4.0527698827683596e-19 3.9277360182509996e-19 3.75771303385092e-19 3.5212638062051995e-19 3.18177859922694e-19 2.6713411454008795e-19 1.84862344384188e-19 3.64197179381076e-20 ] } }