{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.43058 5.066712 4.841201 4.677355 4.548592 4.442506 4.352293 4.273815 4.204368 4.142086 4.085628 4.033997 3.986432 3.94234 3.901248 3.862773 3.826602 3.792475 3.760172 3.729509 3.700327 3.67249 3.645879 3.62039 3.594622 3.568068 3.540679 3.512399 3.483171 3.452926 3.421593 3.389089 3.355325 3.320199 3.283595 3.245384 3.205418 3.16353 3.119523 3.073172 3.024214 2.972338 2.917173 2.858275 2.795101 2.72698 2.653074 2.572305 2.483269 2.384078 2.272114 2.143593 1.992756 1.81019 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.43058e-10 5.066712e-10 4.841201e-10 4.677355000000001e-10 4.548592e-10 4.442506e-10 4.3522930000000004e-10 4.273815e-10 4.2043679999999996e-10 4.1420860000000003e-10 4.085628e-10 4.0339970000000003e-10 3.986432e-10 3.9423400000000003e-10 3.9012479999999997e-10 3.862773e-10 3.826602e-10 3.7924750000000004e-10 3.760172e-10 3.729509e-10 3.7003270000000005e-10 3.67249e-10 3.645879e-10 3.62039e-10 3.5946220000000005e-10 3.568068e-10 3.540679e-10 3.512399e-10 3.483171e-10 3.452926e-10 3.421593e-10 3.389089e-10 3.355325e-10 3.3201990000000003e-10 3.2835950000000004e-10 3.245384e-10 3.205418e-10 3.16353e-10 3.119523e-10 3.073172e-10 3.024214e-10 2.9723380000000004e-10 2.917173e-10 2.858275e-10 2.795101e-10 2.7269800000000003e-10 2.6530740000000004e-10 2.572305e-10 2.483269e-10 2.3840780000000003e-10 2.2721140000000002e-10 2.143593e-10 1.992756e-10 1.81019e-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" [ 0.946543 1.36456 1.68796 1.95328 2.17749 2.37028 2.53788 2.68459 2.81356 2.92716 3.02726 3.11536 3.19268 3.26023 3.31887 3.36932 3.41223 3.44813 3.47752 3.50081 3.51838 3.53057 3.53768 3.54 3.53752 3.52949 3.51495 3.49275 3.46151 3.4196 3.36505 3.29548 3.20802 3.09915 2.96455 2.79886 2.59543 2.34586 2.03952 1.66272 1.19777 0.621377 -0.0975217 -1.00097 -2.14701 -3.61745 -5.5303 -8.06098 -11.4788 -16.2143 -22.9909 -33.1023 -49.0541 -76.2592 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.516529077676262e-19 2.1862661476910397e-19 2.7044100711266395e-19 3.1294995756595197e-19 3.48872359876866e-19 3.79760723203752e-19 4.06613203589592e-19 4.30118736987006e-19 4.50782009035704e-19 4.68982735597944e-19 4.85020523704284e-19 4.991356998498239e-19 5.11523729583912e-19 5.223464327465819e-19 5.31741596528358e-19 5.39824577646888e-19 5.46699517583382e-19 5.52451331699442e-19 5.57160128826768e-19 5.608915982073539e-19 5.637066225532919e-19 5.656596758701379e-19 5.66798823456912e-19 5.67170528436e-19 5.66773188630768e-19 5.65486640793666e-19 5.631570759678299e-19 5.596002438403499e-19 5.54595044035734e-19 5.4788032176264e-19 5.391404482241699e-19 5.27994105381432e-19 5.139814685404679e-19 4.9653857152610995e-19 4.749732740324699e-19 4.48426809383724e-19 4.15833730118262e-19 3.75848207863524e-19 3.26767128857568e-19 2.6639711328844797e-19 1.9190391069061798e-19 9.955557103050179e-20 -1.562469890479578e-20 -1.6037307453349796e-19 -3.4398892549643398e-19 -5.795793864663299e-19 -8.8605174390102e-19 -1.291511380314132e-18 -1.8391065146359197e-18 -2.59781725966662e-18 -3.6835482774630596e-18 -5.3035731591658195e-18 -7.85933328218994e-18 -1.221807083675328e-17 ] } }