{ "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" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.27431 3.987915 3.81042 3.681459 3.580112 3.496614 3.425608 3.36384 3.309179 3.260158 3.215721 3.175083 3.137646 3.102942 3.070599 3.040316 3.011846 2.984985 2.95956 2.935426 2.912457 2.890547 2.869602 2.84954 2.835883 2.821509 2.806339 2.79028 2.773221 2.75503 2.735545 2.714568 2.691851 2.667079 2.639844 2.609601 2.575602 2.53678 2.491537 2.437319 2.369663 2.27963 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.27431e-10 3.9879150000000004e-10 3.8104200000000003e-10 3.681459e-10 3.580112e-10 3.4966140000000004e-10 3.425608e-10 3.36384e-10 3.309179e-10 3.2601580000000003e-10 3.215721e-10 3.175083e-10 3.1376460000000003e-10 3.102942e-10 3.0705990000000004e-10 3.040316e-10 3.011846e-10 2.984985e-10 2.9595600000000005e-10 2.935426e-10 2.912457e-10 2.8905470000000005e-10 2.869602e-10 2.84954e-10 2.8358830000000003e-10 2.821509e-10 2.806339e-10 2.79028e-10 2.7732210000000003e-10 2.75503e-10 2.7355450000000004e-10 2.7145679999999997e-10 2.691851e-10 2.667079e-10 2.639844e-10 2.6096010000000003e-10 2.575602e-10 2.53678e-10 2.491537e-10 2.4373190000000003e-10 2.369663e-10 2.27963e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.942209 1.33886 1.68708 1.94372 2.1599 2.34532 2.50621 2.64681 2.77025 2.87885 2.97445 3.05851 3.13222 3.19657 3.2524 3.30041 3.34121 3.37534 3.40326 3.42537 3.44205 3.45362 3.46037 3.46257 3.4615 3.45802 3.45157 3.44147 3.42685 3.40657 3.37913 3.34254 3.29408 3.22996 3.14476 3.03049 2.87484 2.65804 2.34624 1.87647 1.11761 -0.255512 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.509585244144506e-19 2.1450902081972398e-19 2.70300015568872e-19 3.1141827670384797e-19 3.4605413117765997e-19 3.75761690325288e-19 4.0153911018971395e-19 4.24065713663754e-19 4.438429820338499e-19 4.612426202790899e-19 4.7655942890013e-19 4.90027325685534e-19 5.01836969654748e-19 5.121469762945379e-19 5.2109192844216e-19 5.287839784619939e-19 5.35320859128714e-19 5.407890879805559e-19 5.45262365142684e-19 5.48804777680458e-19 5.514772083059699e-19 5.53330926671508e-19 5.54412395899458e-19 5.547648747589379e-19 5.545934418591e-19 5.540358843904679e-19 5.53002480461538e-19 5.51384282061198e-19 5.490418998222899e-19 5.45792685608538e-19 5.41396312924842e-19 5.35533948621036e-19 5.27769800652672e-19 5.17496644075464e-19 5.03846099153784e-19 4.855380267570659e-19 4.606001474488559e-19 4.25864958023736e-19 3.7590909057561596e-19 3.00643638840198e-19 1.79060862792474e-19 -4.09375356106608e-20 ] } }