{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.36941 8.741624 8.352548 8.069863 7.847707 7.664675 7.50903 7.373631 7.253813 7.146357 7.048949 6.95987 6.877807 6.801735 6.730838 6.664457 6.60205 6.54317 6.487438 6.434534 6.384186 6.336158 6.290246 6.24627 6.201813 6.155999 6.108744 6.059954 6.009525 5.957344 5.903285 5.847207 5.788954 5.72835 5.665197 5.599272 5.530319 5.458048 5.382123 5.302155 5.217687 5.128185 5.03301 4.931392 4.822397 4.704869 4.577358 4.438008 4.284394 4.113259 3.920087 3.698351 3.438112 3.12313 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.36941e-10 8.741624e-10 8.352548000000001e-10 8.069863e-10 7.847707e-10 7.664675e-10 7.50903e-10 7.373631e-10 7.253813e-10 7.146357e-10 7.048949e-10 6.95987e-10 6.877807e-10 6.801735e-10 6.730838000000001e-10 6.664457e-10 6.60205e-10 6.54317e-10 6.487438e-10 6.434534e-10 6.384186e-10 6.336158e-10 6.290246e-10 6.24627e-10 6.201813e-10 6.155999000000001e-10 6.108744e-10 6.059954000000001e-10 6.009525e-10 5.957344e-10 5.903285e-10 5.847207e-10 5.788954e-10 5.72835e-10 5.665197e-10 5.599272e-10 5.530319000000001e-10 5.458048e-10 5.382123000000001e-10 5.302155e-10 5.217686999999999e-10 5.128185e-10 5.03301e-10 4.931392e-10 4.822397e-10 4.704869e-10 4.577358e-10 4.438008e-10 4.284394e-10 4.1132590000000005e-10 3.920087e-10 3.6983510000000003e-10 3.438112e-10 3.12313e-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" [ 0.897247 2.3732 3.2214 3.68927 3.9637 4.15098 4.29643 4.40794 4.48891 4.55069 4.60162 4.64598 4.68587 4.7223 4.75566 4.78603 4.81334 4.83745 4.85819 4.87542 4.889 4.89882 4.90478 4.90678 4.9051 4.90258 4.8981 4.88952 4.87449 4.85034 4.81412 4.76244 4.69145 4.59668 4.47285 4.31371 4.11163 3.85723 3.53868 3.14077 2.6747 2.16421 1.4301 0.353304 -1.02833 -2.82093 -5.26337 -8.77273 -13.7778 -20.8169 -30.9936 -47.1308 -75.3532 -133.28 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.437548178326598e-19 3.8022855878088e-19 5.1612518087676e-19 5.910862190517179e-19 6.3505475241858e-19 6.650603164201319e-19 6.883639755616619e-19 7.06229847207396e-19 7.192026714128939e-19 7.29100918657746e-19 7.372608042547078e-19 7.443680598031319e-19 7.50759142396158e-19 7.565958718738199e-19 7.619407331248439e-19 7.66806543562302e-19 7.71182087949756e-19 7.7504493581432985e-19 7.783678501532459e-19 7.811284004936279e-19 7.833041563626e-19 7.848774938171879e-19 7.858323910910519e-19 7.86152826417852e-19 7.8588366074334e-19 7.85479912231572e-19 7.8476213709954005e-19 7.833874695475679e-19 7.809793980666659e-19 7.771101414955559e-19 7.713070577272079e-19 7.630270088826959e-19 7.516531569579299e-19 7.36469328997512e-19 7.1662957573869e-19 6.91132536785214e-19 6.5875575136534195e-19 6.1799637779638195e-19 5.66959041120312e-19 5.032068306768179e-19 4.2853418429598e-19 3.46744669306914e-19 2.2912728042834e-19 5.660554134987359e-20 -1.6475662980412198e-19 -4.519628132149619e-19 -8.43284843009658e-19 -1.4055463022390818e-18 -2.2074469227925197e-18 -3.33523507723146e-18 -4.96572217235424e-18 -7.55118665017272e-18 -1.2072913633712879e-17 -2.1353810177951997e-17 ] } }