{ "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" [ "Ta" "Ta" ] } "a" { "source-value" [ 4.97439 4.641087 4.43452 4.284438 4.166491 4.069316 3.986681 3.914796 3.851182 3.794132 3.742417 3.695123 3.651554 3.611166 3.573525 3.538283 3.50515 3.473889 3.4443 3.416213 3.389482 3.363983 3.339607 3.31626 3.300366 3.283638 3.265983 3.247294 3.227442 3.206271 3.183595 3.159182 3.132744 3.103916 3.07222 3.037024 2.997457 2.952277 2.899623 2.836526 2.757788 2.65301 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.97439e-10 4.641087e-10 4.43452e-10 4.284438e-10 4.166491e-10 4.069316e-10 3.986681e-10 3.914796e-10 3.851182e-10 3.794132e-10 3.742417e-10 3.695123e-10 3.651554e-10 3.611166e-10 3.5735250000000003e-10 3.538283e-10 3.50515e-10 3.473889e-10 3.4443e-10 3.416213e-10 3.389482e-10 3.363983e-10 3.339607e-10 3.3162600000000004e-10 3.300366e-10 3.283638e-10 3.265983e-10 3.2472940000000004e-10 3.227442e-10 3.206271e-10 3.183595e-10 3.1591820000000003e-10 3.1327440000000005e-10 3.103916e-10 3.07222e-10 3.0370240000000004e-10 2.997457e-10 2.952277e-10 2.899623e-10 2.836526e-10 2.7577880000000003e-10 2.65301e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.00458537 -0.00311284 0.0582053 0.229571 0.47375 0.758716 1.06099 1.36373 1.65532 1.92837 2.17871 2.40439 2.60493 2.78078 2.93293 3.0627 3.17158 3.26109 3.33282 3.38832 3.42912 3.45666 3.47226 3.47718 3.47496 3.46793 3.45404 3.43036 3.39317 3.3378 3.2585 3.14829 2.99894 2.80103 2.54422 2.21754 1.80918 1.30361 0.66897 -0.187788 -1.70493 -4.95354 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.346572611717697e-22 -4.987319472291072e-22 9.325517086665024e-21 3.6781328901367684e-20 7.59031174104e-20 1.2155970370268928e-19 1.6998933729025923e-19 2.1849363230835844e-19 2.652115003942656e-19 3.089589330252096e-19 3.4906782255031683e-19 3.852257445285312e-19 4.173557944820544e-19 4.455300703588224e-19 4.699071876442944e-19 4.90698633652416e-19 5.0814313269968645e-19 5.224842156324672e-19 5.339766285334656e-19 5.4286870877890565e-19 5.494055893917697e-19 5.538179838054528e-19 5.563173793339008e-19 5.571056502313345e-19 5.567499670215168e-19 5.556236368570945e-19 5.533982135308033e-19 5.496042592927488e-19 5.436457644399937e-19 5.34774512490624e-19 5.220692518876801e-19 5.044116633498432e-19 4.804831555181952e-19 4.487744780159424e-19 4.0762898021717767e-19 3.5528907436888325e-19 2.898625898818944e-19 2.088613464641088e-19 1.071808094016576e-19 -3.0086954326679043e-20 -2.731598986100544e-19 -7.936445978197633e-19 ] } }