{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Cu" ] } "a" { "source-value" [ 3.5892 3.34871 3.199664 3.091375 3.006272 2.936157 2.876533 2.824665 2.778766 2.737602 2.700287 2.666163 2.634727 2.605585 2.578426 2.552997 2.529091 2.506535 2.485185 2.464919 2.445632 2.427234 2.409646 2.3928 2.375769 2.358219 2.340117 2.321427 2.302109 2.282119 2.261411 2.239929 2.217613 2.194397 2.170205 2.14495 2.118536 2.090851 2.061766 2.031132 1.998775 1.964489 1.928029 1.889102 1.847349 1.802326 1.75348 1.700098 1.641252 1.575695 1.501695 1.416753 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.5892e-10 3.34871e-10 3.1996639999999997e-10 3.091375e-10 3.006272e-10 2.9361570000000004e-10 2.876533e-10 2.8246650000000003e-10 2.7787660000000003e-10 2.737602e-10 2.700287e-10 2.666163e-10 2.634727e-10 2.605585e-10 2.578426e-10 2.552997e-10 2.5290910000000003e-10 2.506535e-10 2.485185e-10 2.4649190000000003e-10 2.4456319999999997e-10 2.427234e-10 2.409646e-10 2.3927999999999997e-10 2.375769e-10 2.358219e-10 2.340117e-10 2.321427e-10 2.3021090000000003e-10 2.282119e-10 2.261411e-10 2.2399290000000001e-10 2.2176130000000002e-10 2.194397e-10 2.1702050000000002e-10 2.1449500000000002e-10 2.1185360000000003e-10 2.090851e-10 2.061766e-10 2.031132e-10 1.9987750000000002e-10 1.964489e-10 1.9280290000000002e-10 1.889102e-10 1.847349e-10 1.802326e-10 1.75348e-10 1.7000980000000003e-10 1.641252e-10 1.575695e-10 1.501695e-10 1.416753e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.772045 1.19217 1.51002 1.75931 1.96036 2.12716 2.26954 2.39275 2.5 2.59378 2.67605 2.74826 2.81156 2.8669 2.91514 2.95703 2.99316 3.02393 3.04963 3.07044 3.08653 3.09797 3.10481 3.10708 3.10457 3.09638 3.08139 3.05847 3.02649 2.98432 2.93066 2.86367 2.78082 2.67858 2.55217 2.39556 2.20147 1.9615 1.66557 1.30005 0.844951 0.271026 -0.463572 -1.41873 -2.6816 -4.37893 -6.70188 -9.95156 -14.6016 -21.4805 -32.1631 -49.9445 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.23695245939653e-19 1.9100669177557798e-19 2.41931876087268e-19 2.81872537396254e-19 3.14084298622824e-19 3.4080860487794396e-19 3.63620395792836e-19 3.8336081410035e-19 4.005441585e-19 4.15569370973652e-19 4.2875047814156996e-19 4.40319795615684e-19 4.50461573708904e-19 4.5932801920146e-19 4.67056919283876e-19 4.73768437203702e-19 4.79557101382344e-19 4.84486998885162e-19 4.88604592834542e-19 4.91938722409896e-19 4.94516624614002e-19 4.96349514683298e-19 4.97445403500954e-19 4.978090975968719e-19 4.974069512617379e-19 4.9609476859849195e-19 4.93693105824126e-19 4.900209169789979e-19 4.848971561034659e-19 4.78140777237888e-19 4.69543497419844e-19 4.58810516148678e-19 4.455364827359879e-19 4.29155828829972e-19 4.0890271399957797e-19 3.83811025734504e-19 3.52714379445198e-19 3.142669467591e-19 2.6685373362913797e-19 2.0829097330316998e-19 1.353760749074934e-19 4.3423152440648395e-20 -7.42724226576648e-20 -2.27305605595482e-19 -4.2963968617343996e-19 -7.01581932792162e-19 -1.0737595539871919e-18 -1.594415690384904e-18 -2.3394342339014396e-18 -3.4415555186637e-18 -5.153096729700539e-18 -8.001991089681298e-18 ] } }