{ "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 5.73484 5.350585 5.112439 4.939414 4.803437 4.691407 4.596139 4.513265 4.439926 4.374155 4.314534 4.26001 4.209781 4.163218 4.119824 4.079193 4.040996 4.004956 3.970844 3.938463 3.907646 3.878249 3.850147 3.82323 3.804906 3.78562 3.765267 3.743721 3.720833 3.696426 3.670282 3.642137 3.611658 3.578422 3.541881 3.501304 3.455687 3.403599 3.342897 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.73484e-10 5.350584999999999e-10 5.112439e-10 4.939414000000001e-10 4.803437e-10 4.691407e-10 4.5961390000000003e-10 4.513265e-10 4.439926e-10 4.3741550000000004e-10 4.3145340000000004e-10 4.2600100000000004e-10 4.2097810000000004e-10 4.1632179999999997e-10 4.1198240000000005e-10 4.079193e-10 4.040996e-10 4.004956e-10 3.970844e-10 3.938463e-10 3.907646e-10 3.878249e-10 3.8501470000000005e-10 3.82323e-10 3.804906e-10 3.7856200000000005e-10 3.765267e-10 3.743721e-10 3.720833e-10 3.6964260000000003e-10 3.670282e-10 3.642137e-10 3.611658e-10 3.5784220000000006e-10 3.541881e-10 3.5013040000000003e-10 3.4556870000000003e-10 3.4035989999999997e-10 3.342897e-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" [ 2.07741 3.10407 4.01256 4.84396 5.61639 6.33902 7.02016 7.66115 8.26331 8.82926 9.35846 9.85097 10.3071 10.7273 11.1103 11.4556 11.7627 12.0319 12.2614 12.4507 12.5988 12.7057 12.7715 12.7936 12.7825 12.745 12.6735 12.5582 12.3857 12.1379 11.7894 11.3049 10.6333 9.69954 8.38519 6.50343 3.74221 -0.454791 -7.1514 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.328377733816128e-19 4.973268383326657e-19 6.428829821557248e-19 7.760879464090368e-19 8.998448751294913e-19 1.0156229642783615e-18 1.1247536226275329e-18 1.227451541844192e-18 1.323928209242285e-18 1.4146033950964608e-18 1.4993905818691968e-18 1.5782993826202176e-18 1.651379464824768e-18 1.718702926430784e-18 1.780066291007424e-18 1.835389449723648e-18 1.884592293748416e-18 1.927722888380352e-18 1.964492841827712e-18 1.994822045259456e-18 2.0185502810135043e-18 2.0356775490898563e-18 2.04621987125472e-18 2.049760681586688e-18 2.0479822655376e-18 2.0419741032096e-18 2.03051854037088e-18 2.012045443933056e-18 1.984407897224256e-18 1.9447059605608323e-18 1.888870105325952e-18 1.8112446480481922e-18 1.703642466195264e-18 1.5540376220514433e-18 1.3434555378965951e-18 1.0419643501009344e-18 5.995681372123968e-19 -7.286555075502528e-20 -1.145780588598912e-18 ] } }