{ "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" [ "Nb" "Nb" ] } "a" { "source-value" [ 4.95366 4.621746 4.41604 4.266583 4.149128 4.052358 3.970067 3.898481 3.835133 3.778321 3.726821 3.679724 3.636337 3.596117 3.558633 3.523537 3.490543 3.459412 3.429946 3.401976 3.375357 3.349964 3.32569 3.30244 3.286612 3.269953 3.252373 3.233761 3.213991 3.192909 3.170327 3.146015 3.119688 3.090979 3.059416 3.024366 2.984963 2.939971 2.887537 2.824702 2.746292 2.64195 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.953660000000001e-10 4.621746e-10 4.41604e-10 4.266583e-10 4.1491280000000003e-10 4.052358e-10 3.970067e-10 3.898481e-10 3.835133e-10 3.778321e-10 3.7268210000000005e-10 3.679724e-10 3.636337e-10 3.5961170000000004e-10 3.558633e-10 3.523537e-10 3.490543e-10 3.459412e-10 3.4299460000000004e-10 3.401976e-10 3.3753570000000003e-10 3.349964e-10 3.32569e-10 3.3024399999999997e-10 3.286612e-10 3.269953e-10 3.252373e-10 3.233761e-10 3.213991e-10 3.192909e-10 3.170327e-10 3.146015e-10 3.119688e-10 3.090979e-10 3.059416e-10 3.0243660000000005e-10 2.984963e-10 2.939971e-10 2.887537e-10 2.8247019999999997e-10 2.746292e-10 2.6419500000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 3.14607 3.59048 3.96435 4.28596 5.14794 5.84262 6.09335 6.31277 6.50498 6.67323 6.82016 6.94795 7.05841 7.15309 7.2333 7.30018 7.35474 7.39784 7.43027 7.4527 7.46576 7.47 7.46796 7.46126 7.44888 7.42952 7.40153 7.3628 7.31051 7.24094 7.14903 7.02775 6.86708 6.65226 6.36075 5.95643 5.37773 4.51096 3.12087 0.628885 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 5.040559801400256e-19 5.752583113449984e-19 6.351588886668481e-19 6.866864909683969e-19 8.247909113281153e-19 9.360909168218497e-19 9.76262291235168e-19 1.0114172506487618e-18 1.0422126874771585e-18 1.0691693091221185e-18 1.0927100902115328e-18 1.113184305248736e-18 1.130881948202093e-18 1.1460513564478272e-18 1.1589024151232641e-18 1.1696177723631745e-18 1.1783592480062593e-18 1.1852646292419074e-18 1.1904604880231616e-18 1.194054170183616e-18 1.196146612850381e-18 1.1968259357376e-18 1.196499091706957e-18 1.1954256333710208e-18 1.1934421387144705e-18 1.1903403247766016e-18 1.1858558324149826e-18 1.179650602362624e-18 1.171272820812461e-18 1.1601264780615553e-18 1.1454008727397824e-18 1.12596967468272e-18 1.1002275029163263e-18 1.0658095447483008e-18 1.01910449407536e-18 9.543252889431744e-19 8.616073278974784e-19 7.227354649363969e-19 5.000184950556096e-19 1.0075848441718081e-19 ] } }