{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.18406 7.635698 7.295845 7.048923 6.854873 6.694998 6.559043 6.440774 6.336115 6.242254 6.157169 6.07936 6.007679 5.941231 5.879303 5.82132 5.766809 5.715378 5.666697 5.620486 5.576508 5.534556 5.494452 5.45604 5.417207 5.37719 5.335913 5.293295 5.249247 5.203667 5.156447 5.107464 5.056581 5.003644 4.948481 4.890896 4.830667 4.767539 4.70122 4.631368 4.557587 4.479408 4.396274 4.307512 4.212307 4.109648 3.998268 3.876548 3.742368 3.592885 3.424151 3.230468 3.003152 2.72802 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.18406e-10 7.635698e-10 7.295845000000001e-10 7.048923e-10 6.854873e-10 6.694998000000001e-10 6.559043e-10 6.440774e-10 6.336115000000001e-10 6.242254e-10 6.157169e-10 6.07936e-10 6.007679e-10 5.941231000000001e-10 5.879303e-10 5.821320000000001e-10 5.766809000000001e-10 5.715378000000001e-10 5.666697000000001e-10 5.620486e-10 5.576508e-10 5.534556e-10 5.494452e-10 5.45604e-10 5.417207000000001e-10 5.37719e-10 5.335913e-10 5.293295e-10 5.249247e-10 5.203667e-10 5.156447e-10 5.107464e-10 5.056581000000001e-10 5.003644000000001e-10 4.948481e-10 4.890896e-10 4.830667000000001e-10 4.767539e-10 4.70122e-10 4.6313680000000003e-10 4.557587e-10 4.4794080000000005e-10 4.396274e-10 4.307512e-10 4.212307e-10 4.1096480000000003e-10 3.998268e-10 3.8765480000000003e-10 3.742368e-10 3.592885e-10 3.4241510000000003e-10 3.230468e-10 3.003152e-10 2.72802e-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" [ 0.794987 1.1099 1.34663 1.53798 1.69697 1.83202 1.94827 2.04916 2.13717 2.21417 2.2816 2.34061 2.39216 2.43705 2.47584 2.50903 2.5371 2.56047 2.57949 2.59449 2.60574 2.61351 2.61805 2.61953 2.61792 2.61272 2.60332 2.58901 2.56897 2.54219 2.50747 2.46337 2.40814 2.33966 2.25538 2.15227 2.02642 1.87245 1.68398 1.45321 1.17004 0.820491 0.386442 -0.15625 -0.840606 -1.71339 -2.84116 -4.32358 -6.31067 -9.04141 -12.9142 -18.6275 -27.5031 -42.2779 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2737095957337579e-19 1.7782558460766e-19 2.15753912064342e-19 2.4641156195593195e-19 2.71884568259898e-19 2.9352196370206797e-19 3.12147267072318e-19 3.28311627132744e-19 3.4241238368857793e-19 3.5474914377037803e-19 3.6555262081344e-19 3.7500706513067393e-19 3.83266285678944e-19 3.9045845658897e-19 3.9667329975225593e-19 4.0199092400050197e-19 4.0648823381214e-19 4.1023252060579797e-19 4.1327986056366594e-19 4.1568312551466596e-19 4.17485574227916e-19 4.18730465472534e-19 4.1945785366437e-19 4.1969497580620197e-19 4.1943702536812794e-19 4.1860389351844794e-19 4.17097847482488e-19 4.1480513271923396e-19 4.11594370744698e-19 4.07303741718846e-19 4.01740984445598e-19 3.9467538548965794e-19 3.8582656394007597e-19 3.7485485835044397e-19 3.61351713679092e-19 3.44831670405918e-19 3.2466827746702795e-19 2.9999956383333e-19 2.6980334081233197e-19 2.3282991062951396e-19 1.8746107488453598e-19 1.314571508607294e-19 6.19148342796228e-20 -2.503400990625e-20 -1.346799291600204e-19 -2.74515342292926e-19 -4.552040165455439e-19 -6.927138851229719e-19 -1.0110808018884779e-18 -1.448593584041394e-18 -2.0690829486802797e-18 -2.9844545249835e-18 -4.4064824182565394e-18 -6.77366635145886e-18 ] } }