{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.41657 5.05364 4.828711 4.665288 4.536857 4.431045 4.341065 4.262789 4.193521 4.1314 4.075087 4.02359 3.976148 3.93217 3.891184 3.852808 3.81673 3.782691 3.750471 3.719887 3.690781 3.663015 3.636473 3.61105 3.593743 3.575528 3.556304 3.535954 3.514336 3.491284 3.466591 3.440008 3.411221 3.379829 3.345316 3.306991 3.263907 3.21471 3.157376 3.088669 3.002933 2.88884 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.41657e-10 5.05364e-10 4.828711e-10 4.665288000000001e-10 4.5368570000000004e-10 4.4310450000000004e-10 4.3410650000000004e-10 4.262789e-10 4.193521e-10 4.1314000000000003e-10 4.075087e-10 4.0235900000000004e-10 3.976148e-10 3.9321700000000004e-10 3.891184e-10 3.8528080000000004e-10 3.81673e-10 3.782691e-10 3.750471e-10 3.719887e-10 3.690781e-10 3.6630150000000003e-10 3.636473e-10 3.61105e-10 3.593743e-10 3.575528e-10 3.556304e-10 3.535954e-10 3.514336e-10 3.491284e-10 3.4665910000000004e-10 3.4400080000000005e-10 3.411221e-10 3.379829e-10 3.3453160000000003e-10 3.3069910000000003e-10 3.263907e-10 3.2147100000000004e-10 3.1573760000000005e-10 3.088669e-10 3.002933e-10 2.88884e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.22947 1.70458 2.06768 2.36405 2.61367 2.8282 3.0167 3.18193 3.32739 3.4558 3.56924 3.66921 3.75704 3.83382 3.90117 3.95945 4.00909 4.05069 4.08475 4.11173 4.13249 4.14694 4.1554 4.15816 4.15682 4.15242 4.14424 4.13159 4.11331 4.08778 4.05304 4.00643 3.94434 3.86197 3.75207 3.60353 3.39951 3.11535 2.7019 2.0701 1.03216 -0.889741 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9698280899749762e-19 2.7310382242832644e-19 3.3127885552957446e-19 3.7876256404022404e-19 4.187560968486336e-19 4.53127591894656e-19 4.833286211967361e-19 5.098013855022144e-19 5.3310664662837125e-19 5.53680196616064e-19 5.718552882024193e-19 5.878722478805569e-19 6.019441651410432e-19 6.142456772355456e-19 6.250363367766337e-19 6.34373822122656e-19 6.423270268683071e-19 6.489920816108353e-19 6.5444909518128e-19 6.587717677041984e-19 6.620978863689792e-19 6.644130315860352e-19 6.657684730072321e-19 6.662106737545727e-19 6.659959820873856e-19 6.652910243742337e-19 6.639804438984192e-19 6.619536904731073e-19 6.590249116102849e-19 6.549345546973825e-19 6.493685931167233e-19 6.419008478871744e-19 6.319529332486273e-19 6.187558044230976e-19 6.011478833605056e-19 5.773491518351425e-19 5.446615444175808e-19 4.99134093560928e-19 4.3289210117395205e-19 3.31666582271808e-19 1.653702620924928e-19 -1.4255222287672128e-19 ] } }