{ "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" [ 9.4467 8.813736 8.421451 8.136434 7.912446 7.727905 7.570975 7.434459 7.313653 7.205311 7.1071 7.017286 6.934546 6.857846 6.786364 6.719436 6.656515 6.597149 6.540957 6.487617 6.436854 6.38843 6.342138 6.2978 6.267616 6.235848 6.202321 6.166829 6.129128 6.088923 6.045859 5.999497 5.94929 5.894543 5.834351 5.767511 5.69237 5.606569 5.506577 5.38675 5.237222 5.03824 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.4467e-10 8.813736e-10 8.421450999999999e-10 8.136433999999999e-10 7.912446000000001e-10 7.727905e-10 7.570975e-10 7.434459000000001e-10 7.313653000000001e-10 7.205311e-10 7.1071e-10 7.017286000000001e-10 6.934546e-10 6.857846000000001e-10 6.786364e-10 6.719436000000001e-10 6.656515e-10 6.597149e-10 6.540957e-10 6.487617000000001e-10 6.436854000000001e-10 6.38843e-10 6.342138000000001e-10 6.2978e-10 6.267616e-10 6.235848e-10 6.202321000000001e-10 6.166829e-10 6.129128e-10 6.088923000000001e-10 6.045859e-10 5.999497e-10 5.94929e-10 5.894543e-10 5.834351e-10 5.767511e-10 5.692370000000001e-10 5.606569e-10 5.506577e-10 5.38675e-10 5.237222e-10 5.038240000000001e-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" [ 1.19945 1.44999 1.62066 1.75047 1.85462 1.94081 2.01355 2.07571 2.1293 2.17574 2.21608 2.25117 2.28163 2.30801 2.33071 2.35011 2.36649 2.38006 2.39113 2.39988 2.40645 2.41099 2.41364 2.41449 2.41408 2.41273 2.41023 2.40633 2.40069 2.39288 2.38234 2.36833 2.34981 2.32536 2.29297 2.24962 2.19075 2.10512 1.98778 1.81222 1.52941 1.01899 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.92173074781856e-19 2.323140078393792e-19 2.596583562265728e-19 2.804562109411776e-19 2.9714288044680963e-19 3.109520407414848e-19 3.22606273481184e-19 3.325654033560768e-19 3.4115146786694404e-19 3.485919760939392e-19 3.550551565822464e-19 3.6067719434463364e-19 3.655574243315904e-19 3.697839662572608e-19 3.734209071864768e-19 3.765291298308288e-19 3.7915349513569925e-19 3.813276488101248e-19 3.8310125832935044e-19 3.8450316287255043e-19 3.85555792912416e-19 3.862831810982592e-19 3.8670775790277124e-19 3.8684394291553918e-19 3.867782536740864e-19 3.865619598302784e-19 3.861614156750784e-19 3.855365667929664e-19 3.846329391788352e-19 3.833816392379904e-19 3.8169294507966725e-19 3.794482956339264e-19 3.7648106453220486e-19 3.725637426943488e-19 3.673742926195776e-19 3.6042885696840967e-19 3.5099684320176e-19 3.372774047978496e-19 3.1847746432938243e-19 2.903496515746176e-19 2.450384945617728e-19 1.6326019548289922e-19 ] } }