{ "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" [ 7.83727 7.312145 6.986693 6.750235 6.564408 6.411307 6.281113 6.167856 6.067632 5.977748 5.896269 5.821757 5.753113 5.689481 5.630177 5.574651 5.52245 5.473198 5.42658 5.382328 5.340213 5.300039 5.261634 5.22485 5.199808 5.173452 5.145638 5.116193 5.084914 5.051559 5.015832 4.977369 4.935716 4.890295 4.840358 4.784906 4.722566 4.651383 4.568427 4.469014 4.344961 4.17988 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.83727e-10 7.312145e-10 6.986693e-10 6.750235e-10 6.564408e-10 6.411307000000001e-10 6.281113e-10 6.167855999999999e-10 6.067632e-10 5.977748000000001e-10 5.896269e-10 5.821757e-10 5.753113000000001e-10 5.689481e-10 5.630177e-10 5.574651e-10 5.52245e-10 5.473198000000001e-10 5.42658e-10 5.382328000000001e-10 5.340213000000001e-10 5.300039e-10 5.261634e-10 5.22485e-10 5.199808e-10 5.173452e-10 5.145638e-10 5.116193e-10 5.084914000000001e-10 5.051559000000001e-10 5.015832e-10 4.977369e-10 4.935716000000001e-10 4.890295000000001e-10 4.840358e-10 4.784906000000001e-10 4.722565999999999e-10 4.6513830000000004e-10 4.568427e-10 4.4690139999999996e-10 4.344961e-10 4.17988e-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" [ 0.673344 0.914614 1.11634 1.31604 1.50358 1.66058 1.78885 1.8966 1.99041 2.07463 2.15193 2.22356 2.28968 2.34971 2.40301 2.44919 2.48825 2.52051 2.54645 2.5666 2.58149 2.5916 2.59737 2.59921 2.59835 2.59555 2.59048 2.58271 2.57174 2.55697 2.53765 2.51287 2.4815 2.4421 2.39274 2.3298 2.24694 2.1329 1.96681 1.70939 1.28335 0.48582 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0788160145559554e-19 1.4653731678563712e-19 1.7885738488638724e-19 2.1085285200376323e-19 2.409000723502464e-19 2.660542452968064e-19 2.86605364811808e-19 3.0386881790092804e-19 3.1889883678065284e-19 3.323923682810304e-19 3.4477719355981445e-19 3.562535846946048e-19 3.6684717651133445e-19 3.764650427659968e-19 3.850046441548608e-19 3.9240349578971526e-19 3.9866159767056e-19 4.0383021944926077e-19 4.07986265603616e-19 4.1121465149452806e-19 4.136002924828992e-19 4.1522009304652807e-19 4.1614454895672967e-19 4.164393494549568e-19 4.16301562265568e-19 4.15852952811744e-19 4.150406492649984e-19 4.137957580306368e-19 4.1203817027761924e-19 4.0967175540869763e-19 4.065763501773121e-19 4.0260615651096963e-19 3.9758012845152004e-19 3.91267552565568e-19 3.833592087652992e-19 3.73275109113984e-19 3.599994736340352e-19 3.41728251450432e-19 3.151176999555648e-19 2.738744693829312e-19 2.05615336630368e-19 7.78369445917056e-20 ] } }