{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.33933 4.981574 4.759852 4.598759 4.472159 4.367855 4.279157 4.201998 4.133717 4.072482 4.016972 3.966209 3.919443 3.876092 3.83569 3.797861 3.762298 3.728744 3.696984 3.666836 3.638144 3.610774 3.58461 3.55955 3.534215 3.508108 3.481179 3.453375 3.424637 3.394901 3.364095 3.332138 3.298941 3.264405 3.228416 3.190848 3.151554 3.11037 3.067102 3.021531 2.973396 2.922392 2.868155 2.810246 2.748134 2.681159 2.608494 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.339330000000001e-10 4.981574000000001e-10 4.759852e-10 4.5987590000000006e-10 4.4721590000000007e-10 4.3678549999999996e-10 4.279157e-10 4.201998e-10 4.133717e-10 4.072482e-10 4.016972e-10 3.966209e-10 3.9194429999999997e-10 3.876092e-10 3.8356900000000004e-10 3.7978610000000004e-10 3.762298e-10 3.728744e-10 3.6969840000000003e-10 3.6668360000000003e-10 3.638144e-10 3.610774e-10 3.5846100000000003e-10 3.5595500000000004e-10 3.534215e-10 3.508108e-10 3.4811790000000004e-10 3.453375e-10 3.424637e-10 3.394901e-10 3.364095e-10 3.332138e-10 3.298941e-10 3.264405e-10 3.2284160000000004e-10 3.190848e-10 3.151554e-10 3.11037e-10 3.0671020000000003e-10 3.021531e-10 2.973396e-10 2.922392e-10 2.868155e-10 2.810246e-10 2.748134e-10 2.6811590000000004e-10 2.608494e-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" [ 0.0265756 0.0250597 0.0217595 0.0379362 0.713451 1.89046 3.19058 4.3184 5.21251 5.8821 6.40508 6.74365 6.90473 7.00348 7.08921 7.16303 7.22585 7.2785 7.32166 7.35592 7.38183 7.39985 7.41039 7.41382 7.41012 7.39813 7.37633 7.34293 7.29573 7.23212 7.1489 7.04218 6.90716 6.73793 6.52709 6.26536 5.94095 5.53876 5.03922 4.41671 3.63712 2.65448 1.40564 -0.723556 -32.6013 -64.1588 -95.8035 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.25788053545304e-21 4.01500657950498e-21 3.4862562467523e-21 6.07804932227508e-21 1.1430745217039338e-19 3.02885083951164e-19 5.11187272490772e-19 6.9188395762655985e-19 8.351361726491339e-19 9.4241631788514e-19 1.026206951490072e-18 1.0804518457874098e-18 1.1062597070078819e-18 1.1220812012686319e-18 1.1358166615519139e-18 1.147643929464102e-18 1.15770880307889e-18 1.1661442630568999e-18 1.173059257409244e-18 1.178548314557328e-18 1.182699554216022e-18 1.18558667651049e-18 1.1872753706827258e-18 1.187824917268188e-18 1.1872321119136079e-18 1.185311102129442e-18 1.181818357067322e-18 1.1764670871097619e-18 1.168904813397282e-18 1.158713367828408e-18 1.1453800538802599e-18 1.128281624842212e-18 1.106649035929944e-18 1.079535400752762e-18 1.045755108601506e-18 1.003821339559824e-18 9.5184512737623e-19 8.87407185333384e-19 8.0737205375854795e-19 7.07634956115414e-19 5.82730867905408e-19 4.25294583142032e-19 2.25208356381576e-19 -1.1592645165905039e-19 -5.22330410980242e-18 -1.0279373022547919e-17 -1.53494129155419e-17 ] } }