{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.92038 8.322682 7.952252 7.683115 7.471606 7.297347 7.14916 7.020251 6.906175 6.803869 6.71113 6.62632 6.54819 6.475763 6.408264 6.345064 6.285649 6.22959 6.176529 6.126161 6.078226 6.0325 5.988788 5.94692 5.918417 5.888419 5.856761 5.823247 5.787646 5.749681 5.709016 5.665238 5.617828 5.566131 5.509293 5.446177 5.375223 5.294203 5.199782 5.086632 4.945435 4.75754 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.92038e-10 8.322682000000001e-10 7.952252e-10 7.683115e-10 7.471606e-10 7.297347000000001e-10 7.14916e-10 7.020251e-10 6.906175000000001e-10 6.803869e-10 6.71113e-10 6.62632e-10 6.54819e-10 6.475763e-10 6.408264e-10 6.345064e-10 6.285649000000001e-10 6.22959e-10 6.176529e-10 6.126161e-10 6.078226e-10 6.0325e-10 5.988787999999999e-10 5.946920000000001e-10 5.918417e-10 5.888419e-10 5.856761e-10 5.823247000000001e-10 5.787646e-10 5.749681e-10 5.709016000000001e-10 5.665238000000001e-10 5.617828000000001e-10 5.566131000000001e-10 5.509293000000001e-10 5.446177e-10 5.375223e-10 5.294203000000001e-10 5.199782e-10 5.086632e-10 4.945435e-10 4.75754e-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" [ 1.2577 1.50571 1.6701 1.80093 1.89898 1.97082 2.03005 2.0832 2.1326 2.17869 2.22071 2.25846 2.29275 2.32433 2.35351 2.38015 2.40391 2.42452 2.44182 2.45576 2.46637 2.47377 2.47809 2.47949 2.47881 2.47653 2.47222 2.46531 2.45502 2.44032 2.41996 2.39247 2.35615 2.30893 2.24818 2.17036 2.07039 1.94048 1.76705 1.51498 1.09528 0.290162 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0150575359801602e-19 2.4124133597047683e-19 2.67579517439808e-19 2.885407941697344e-19 3.042501359366784e-19 3.1576017278050563e-19 3.2524986490550405e-19 3.3376543364505605e-19 3.4168018615180804e-19 3.4906461819707523e-19 3.557969643576768e-19 3.618451811011968e-19 3.6733904473392e-19 3.723987185024064e-19 3.770738698819008e-19 3.81342068399712e-19 3.8514884005073285e-19 3.8845092606620157e-19 3.912226916201856e-19 3.9345612582958085e-19 3.951560352242496e-19 3.9634164592364165e-19 3.970337862238272e-19 3.9725809095073925e-19 3.9714914294052487e-19 3.967838466709824e-19 3.9609330854741763e-19 3.9498620450244482e-19 3.9333756475964167e-19 3.909823651270656e-19 3.877203335271168e-19 3.833159499965376e-19 3.7749684450979204e-19 3.6993136650637445e-19 3.601981435350144e-19 3.477300050719488e-19 3.3171304539381124e-19 3.1089916891299843e-19 2.83112619778464e-19 2.427265536979584e-19 1.754832009229824e-19 4.648907726445696e-20 ] } }