{ "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" [ 1.5095852317073472e-19 2.145090190524288e-19 2.703000133419264e-19 3.114182741381376e-19 3.46054128326592e-19 3.757616872294656e-19 4.015391068815168e-19 4.240657101699648e-19 4.4384297837712e-19 4.61242616479008e-19 4.76559424973856e-19 4.900273216483008e-19 5.018369655202176e-19 5.121469720750657e-19 5.21091924148992e-19 5.287839741054528e-19 5.353208547183168e-19 5.407890835251073e-19 5.452623606503808e-19 5.488047731589696e-19 5.51477203762464e-19 5.533309221127296e-19 5.544123913317696e-19 5.547648701883456e-19 5.5459343728992e-19 5.540358798258816e-19 5.530024759054656e-19 5.513842775184576e-19 5.490418952988481e-19 5.457926811118657e-19 5.413963084643904e-19 5.355339442088832e-19 5.277697963044865e-19 5.174966398119168e-19 5.038460950027009e-19 4.855380227568192e-19 4.606001436540672e-19 4.2586495451512326e-19 3.759090874785792e-19 3.0064363636325765e-19 1.7906086131722882e-19 -4.093753527338496e-20 ] } }