{ "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" [ 8.4944 7.925243 7.572502 7.316218 7.114809 6.948871 6.80776 6.685007 6.576379 6.478958 6.390647 6.309887 6.235488 6.16652 6.102244 6.042062 5.985484 5.932102 5.881575 5.833612 5.787966 5.744423 5.702799 5.66293 5.622625 5.58109 5.538248 5.494014 5.448295 5.400988 5.351977 5.301137 5.248324 5.19338 5.136125 5.076357 5.013844 4.948323 4.879489 4.806989 4.73041 4.649267 4.56298 4.470853 4.372037 4.265486 4.149883 4.023547 3.88428 3.729128 3.553997 3.352969 3.117035 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.494400000000001e-10 7.925243e-10 7.572502e-10 7.316218000000001e-10 7.114809000000001e-10 6.948871e-10 6.807760000000001e-10 6.685007e-10 6.576379000000001e-10 6.478958000000001e-10 6.390647e-10 6.309887e-10 6.235488e-10 6.166520000000001e-10 6.102244e-10 6.042062e-10 5.985484e-10 5.932102e-10 5.881575e-10 5.833612e-10 5.787966000000001e-10 5.744423e-10 5.702799e-10 5.66293e-10 5.622625000000001e-10 5.581089999999999e-10 5.538248e-10 5.494014e-10 5.448295e-10 5.400988000000001e-10 5.351977e-10 5.301137e-10 5.248324000000001e-10 5.193380000000001e-10 5.136125e-10 5.076357e-10 5.013844e-10 4.948323e-10 4.879489e-10 4.806989e-10 4.730410000000001e-10 4.649267e-10 4.56298e-10 4.470853e-10 4.372037e-10 4.265486e-10 4.149883e-10 4.023547e-10 3.88428e-10 3.729128e-10 3.553997e-10 3.352969e-10 3.117035e-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" [ 0.894068 1.13356 1.32673 1.52552 1.73896 1.93761 2.10096 2.23098 2.33707 2.42744 2.50776 2.58159 2.65081 2.71595 2.77653 2.8316 2.88016 2.92154 2.95547 2.9821 3.00181 3.01515 3.02272 3.02511 3.02266 3.01502 3.00174 2.98241 2.95656 2.9238 2.88372 2.83595 2.78011 2.71583 2.64278 2.56074 2.46797 2.35675 2.22129 2.05522 1.8513 1.60091 1.29192 0.906369 0.42015 -0.196556 -0.984866 -2.01988 -3.44248 -5.48128 -8.51223 -13.2093 -21.1509 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.432454858807112e-19 1.8161633452370397e-19 2.1256558056268199e-19 2.44415249869968e-19 2.7861210794606397e-19 3.10439346780474e-19 3.3661090209686403e-19 3.57442402692132e-19 3.74439894602238e-19 3.8891876484369593e-19 4.0178744756798403e-19 4.136163176568059e-19 4.2470658431735394e-19 4.3514316291123e-19 4.44849148960002e-19 4.536723356834399e-19 4.61452505418144e-19 4.680823123296359e-19 4.73518497648798e-19 4.7778509402514e-19 4.809429841707539e-19 4.8308028780051e-19 4.842931355124479e-19 4.84676055727974e-19 4.84283522452644e-19 4.830594595042679e-19 4.80931768934316e-19 4.778347615007939e-19 4.73693134901904e-19 4.6844440424892e-19 4.620228802998479e-19 4.5436928251923e-19 4.45422728194974e-19 4.351239367916219e-19 4.23420036480252e-19 4.10275779374916e-19 3.95412386741298e-19 3.7759297821794997e-19 3.55889893533786e-19 3.2928254617294796e-19 2.9661096025241995e-19 2.56494059513694e-19 2.0698840369972797e-19 1.452163233581946e-19 6.731545127751e-20 -3.14917430472504e-20 -1.577929292821044e-19 -3.2362045394839197e-19 -5.51546101901232e-19 -8.781978740411519e-19 -1.363809600923382e-18 -2.11636318114962e-18 -3.38874777680706e-18 ] } }