{ "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" [ 5.45064 5.085427 4.859083 4.694631 4.565392 4.458914 4.368368 4.2896 4.219896 4.157384 4.100717 4.048895 4.001155 3.9569 3.915656 3.877039 3.840734 3.806481 3.774059 3.743282 3.713992 3.686052 3.659343 3.63376 3.616344 3.598014 3.57867 3.558192 3.536438 3.513241 3.488393 3.461643 3.432674 3.401086 3.366356 3.32779 3.284434 3.234929 3.177234 3.108096 3.02182 2.90701 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.45064e-10 5.085427e-10 4.859083e-10 4.694631e-10 4.565392e-10 4.4589140000000003e-10 4.3683680000000003e-10 4.2896000000000004e-10 4.2198960000000004e-10 4.1573840000000006e-10 4.1007170000000004e-10 4.0488950000000003e-10 4.0011549999999997e-10 3.9569e-10 3.915656e-10 3.877039e-10 3.840734e-10 3.806481e-10 3.774059e-10 3.7432820000000004e-10 3.7139920000000003e-10 3.686052e-10 3.6593429999999997e-10 3.63376e-10 3.616344e-10 3.598014e-10 3.57867e-10 3.558192e-10 3.536438e-10 3.513241e-10 3.488393e-10 3.461643e-10 3.432674e-10 3.401086e-10 3.3663560000000003e-10 3.32779e-10 3.284434e-10 3.2349290000000003e-10 3.177234e-10 3.108096e-10 3.02182e-10 2.90701e-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" [ -0.0955508 -0.271885 -0.205607 -0.0658563 0.0894136 0.257417 0.430031 0.596334 0.748697 0.883724 1.001 1.10155 1.18744 1.26079 1.32328 1.37629 1.42091 1.45799 1.48821 1.5121 1.5301 1.54255 1.5498 1.55215 1.55103 1.54737 1.54067 1.53034 1.51568 1.49588 1.46998 1.43689 1.39531 1.34362 1.27962 1.19856 1.08088 0.89207 0.576435 0.0531459 -0.782096 -2.14168 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -1.5308925785873667e-20 -4.35607790546208e-20 -3.2941872847282565e-20 -1.0551342419239106e-20 1.4325637950156287e-20 4.1242749919647366e-20 6.889856144192449e-20 9.554323929881473e-20 1.1995448294630977e-19 1.4158819320398593e-19 1.6037787974207998e-19 1.76487765664224e-19 1.902488606602752e-19 2.0200082617384323e-19 2.1201282787722242e-19 2.205059661440832e-19 2.2765487822609278e-19 2.335957491360192e-19 2.384375268840768e-19 2.42265126831168e-19 2.45149044748608e-19 2.47143754641504e-19 2.4830533269158403e-19 2.48681844197472e-19 2.485024004159424e-19 2.479160037727296e-19 2.4684254543679363e-19 2.451874969875072e-19 2.428387060614144e-19 2.3966639635223044e-19 2.3551675890435845e-19 2.3021515646613123e-19 2.2355330607684484e-19 2.1527165512392963e-19 2.0501772475080962e-19 1.9203048106260483e-19 1.7317606658903042e-19 1.429253698117056e-19 9.235506804108481e-20 8.514911847137474e-21 -1.253055926421197e-19 -3.4313496252349444e-19 ] } }