{ "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" [ "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" [ 7.00481 6.535461 6.244578 6.033235 5.867145 5.730306 5.613942 5.512714 5.423135 5.342798 5.269974 5.203376 5.142023 5.08515 5.032145 4.982517 4.935861 4.89184 4.850173 4.810621 4.77298 4.737073 4.702747 4.66987 4.647488 4.623932 4.599072 4.572755 4.544799 4.514987 4.483054 4.448677 4.411448 4.370853 4.32622 4.276658 4.22094 4.157319 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.004810000000001e-10 6.535461e-10 6.244578e-10 6.033235e-10 5.867145e-10 5.730306e-10 5.613942e-10 5.512714e-10 5.423135e-10 5.342798000000001e-10 5.269974e-10 5.203375999999999e-10 5.142023000000001e-10 5.08515e-10 5.032145e-10 4.982516999999999e-10 4.935861e-10 4.89184e-10 4.850173e-10 4.810621e-10 4.77298e-10 4.737073e-10 4.702747e-10 4.66987e-10 4.647488e-10 4.6239320000000003e-10 4.5990719999999995e-10 4.572755e-10 4.5447990000000004e-10 4.514987e-10 4.483054e-10 4.4486770000000003e-10 4.411448e-10 4.3708530000000004e-10 4.32622e-10 4.2766580000000004e-10 4.2209399999999997e-10 4.1573190000000006e-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" [ 2.18605 3.27676 4.23536 5.11394 5.93517 6.70447 7.43018 8.11236 8.75316 9.35385 9.91576 10.44 10.9252 11.371 11.7789 12.1482 12.4767 12.7638 13.0087 13.2107 13.3688 13.4823 13.5522 13.5758 13.5639 13.5239 13.4478 13.3249 13.1418 12.8788 12.5087 11.9938 11.2794 10.2841 8.88323 6.87875 3.93677 -0.532312 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.50243820189984e-19 5.249948263972608e-19 6.785794772671489e-19 8.193435108173953e-19 9.509190614473536e-19 1.0741745088854977e-18 1.1904460684335744e-18 1.299743353151309e-18 1.4024108310121728e-18 1.498651978447008e-18 1.588679884946381e-18 1.6726723921152e-18 1.7504100017564162e-18 1.8218350355116803e-18 1.887187819874112e-18 1.946356202480256e-18 1.998987704473536e-18 2.044986195256704e-18 2.084223500700096e-18 2.116587468440256e-18 2.141917880815104e-18 2.1601025854611842e-18 2.171301800040576e-18 2.175082936865664e-18 2.1731763466869123e-18 2.166767640203712e-18 2.1545750761194243e-18 2.134884325449792e-18 2.105548471522944e-18 2.063411226395904e-18 2.004114669660096e-18 1.9216185954551043e-18 1.8071590976651523e-18 1.6476944585969282e-18 1.4232503423189184e-18 1.1020972430328e-18 6.307400855466816e-19 -8.528578413712897e-20 ] } }