{ "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" [ 7.74228 7.223519 6.902011 6.668419 6.484843 6.333598 6.204982 6.093098 5.994088 5.905294 5.824802 5.751193 5.683381 5.62052 5.561935 5.507082 5.455514 5.406859 5.360805 5.317089 5.275485 5.235798 5.197859 5.16152 5.124783 5.086926 5.047877 5.00756 4.965889 4.92277 4.878099 4.83176 4.783624 4.733544 4.681359 4.626883 4.569905 4.510185 4.447445 4.381364 4.311566 4.237607 4.15896 4.07499 3.984924 3.887807 3.782439 3.66729 3.540353 3.398939 3.239314 3.056085 2.841041 2.58076 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.74228e-10 7.223519e-10 6.902011e-10 6.668419e-10 6.484842999999999e-10 6.333598e-10 6.204982e-10 6.093098000000001e-10 5.994088e-10 5.905293999999999e-10 5.824802e-10 5.751193e-10 5.683381e-10 5.620520000000001e-10 5.561935e-10 5.507082e-10 5.455514e-10 5.406859e-10 5.360805e-10 5.317089000000001e-10 5.275485e-10 5.235798e-10 5.197859000000001e-10 5.16152e-10 5.124783e-10 5.086926e-10 5.047877e-10 5.00756e-10 4.965889e-10 4.92277e-10 4.878099e-10 4.83176e-10 4.783624e-10 4.733544000000001e-10 4.681358999999999e-10 4.6268830000000006e-10 4.5699050000000005e-10 4.510185e-10 4.4474450000000005e-10 4.381364e-10 4.3115660000000004e-10 4.237607e-10 4.1589600000000005e-10 4.07499e-10 3.9849240000000003e-10 3.887807e-10 3.7824390000000003e-10 3.6672900000000003e-10 3.540353e-10 3.398939e-10 3.2393139999999997e-10 3.0560850000000003e-10 2.8410410000000005e-10 2.58076e-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" [ 1.19503 1.47942 1.68753 1.85252 1.98853 2.10323 2.20136 2.28609 2.35969 2.42383 2.47982 2.52867 2.5712 2.60808 2.63988 2.66707 2.69005 2.70917 2.72474 2.73701 2.74623 2.75259 2.75629 2.75749 2.75621 2.7521 2.74467 2.73338 2.71756 2.69645 2.66911 2.63443 2.59069 2.53623 2.4696 2.38823 2.28842 2.16511 2.01138 1.81744 1.56915 1.2455 0.814662 0.22721 -0.595589 -1.78276 -3.55243 -6.28603 -10.6768 -18.0374 -30.9629 -54.7708 -100.3 -184.478 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9146491429290199e-19 2.37029215587228e-19 2.7037211351740196e-19 2.9680642580176797e-19 3.1859763020080196e-19 3.36974596192782e-19 3.5269675550222403e-19 3.66271998122106e-19 3.78064018148346e-19 3.88340379078822e-19 3.97310966052588e-19 4.05137598909678e-19 4.1195165613407997e-19 4.17860483560272e-19 4.2295540525639193e-19 4.2731172352423795e-19 4.3099352542916995e-19 4.3405688715337795e-19 4.36551476172516e-19 4.38517346902434e-19 4.39994553758982e-19 4.41013538098206e-19 4.416063434527859e-19 4.417986046488661e-19 4.41593526039714e-19 4.4093503144313995e-19 4.39744614204078e-19 4.37935756784292e-19 4.35401113349304e-19 4.3201891847493e-19 4.2763856755757397e-19 4.2208221899086197e-19 4.1507429839374595e-19 4.06348844444982e-19 3.9567354153263994e-19 3.82636630261782e-19 3.6664530527782797e-19 3.4688886520397396e-19 3.2225860380949196e-19 2.9118599016969595e-19 2.5140554652411e-19 1.995510997647e-19 1.3052324210077078e-19 3.6403055301114e-20 -9.54238779267426e-20 -2.8562964160298395e-19 -5.69162033992062e-19 -1.007133038662302e-18 -1.7106119485891198e-18 -2.8899100818111602e-18 -4.96080349008786e-18 -8.77524959854872e-18 -1.606983163902e-17 -2.95566341087052e-17 ] } }