{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Zr" "Zr" ] } "a" { "source-value" [ 5.38449 5.023709 4.800112 4.637656 4.509986 4.4048 4.315352 4.23754 4.168683 4.106929 4.05095 3.999757 3.952596 3.908879 3.868135 3.829987 3.794123 3.760285 3.728256 3.697853 3.668919 3.641318 3.614932 3.58966 3.564111 3.537782 3.510626 3.482586 3.453606 3.423618 3.392551 3.360323 3.326846 3.292018 3.255724 3.217838 3.178212 3.136679 3.093045 3.047089 2.998546 2.947111 2.892414 2.834016 2.771378 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.38449e-10 5.023709000000001e-10 4.800112e-10 4.637656e-10 4.5099859999999996e-10 4.4048e-10 4.315352e-10 4.2375400000000004e-10 4.168683e-10 4.106929e-10 4.0509500000000004e-10 3.9997569999999997e-10 3.952596e-10 3.9088790000000004e-10 3.868135e-10 3.829987e-10 3.794123e-10 3.7602850000000003e-10 3.7282560000000004e-10 3.6978529999999997e-10 3.668919e-10 3.641318e-10 3.614932e-10 3.58966e-10 3.564111e-10 3.537782e-10 3.510626e-10 3.482586e-10 3.453606e-10 3.423618e-10 3.392551e-10 3.3603230000000004e-10 3.3268460000000005e-10 3.292018e-10 3.255724e-10 3.217838e-10 3.178212e-10 3.136679e-10 3.093045e-10 3.0470890000000004e-10 2.998546e-10 2.947111e-10 2.892414e-10 2.834016e-10 2.771378e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.53169 2.2876 2.89514 3.41074 3.86297 4.25593 4.59079 4.87664 5.11982 5.32842 5.50752 5.66165 5.79428 5.90803 6.00486 6.08623 6.15351 6.20808 6.25149 6.28534 6.31083 6.32847 6.33871 6.34202 6.33862 6.32743 6.30741 6.27724 6.23491 6.1781 6.10415 6.00984 5.89128 5.74369 5.56161 5.33689 5.06073 4.72022 4.29969 3.77858 3.12994 2.31757 1.29093 -0.0242879 -1.73451 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.45403792853146e-19 3.6651392679383996e-19 4.63852566015876e-19 5.46460793264916e-19 6.189160271842979e-19 6.81875160193962e-19 7.35525646960086e-19 7.8132386604297595e-19 8.2028559742858795e-19 8.53707002013828e-19 8.82401985528768e-19 9.0709633398861e-19 9.283460026853518e-19 9.46570761897102e-19 9.62084638244124e-19 9.75121549514982e-19 9.85900993908534e-19 9.946440718002718e-19 1.001599120568466e-18 1.0070224884745558e-18 1.011106436714622e-18 1.013932676296998e-18 1.0155733051702138e-18 1.016103625636068e-18 1.015558885580508e-18 1.013766049927062e-18 1.010558492305794e-18 1.0057247254010159e-18 9.98942711709294e-19 9.898407462515399e-19 9.7799265004311e-19 9.628825222078558e-19 9.43887116035152e-19 9.202405910939459e-19 8.91068158942074e-19 8.55064045622826e-19 8.10818335698282e-19 7.56262619133948e-19 6.88886285144346e-19 6.053952585699719e-19 5.014716733821959e-19 3.7131565016593797e-19 2.0682978821296196e-19 -3.89135058689286e-21 -2.77899139343934e-19 ] } }