{ "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" [ "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 5.40607 5.043844 4.819351 4.656245 4.528063 4.422455 4.332649 4.254526 4.185392 4.123391 4.067188 4.01579 3.96844 3.924547 3.883641 3.845339 3.809332 3.775358 3.743201 3.712676 3.683626 3.655915 3.629423 3.60405 3.586776 3.568596 3.54941 3.529099 3.507524 3.484516 3.459871 3.43334 3.404608 3.373277 3.338831 3.300581 3.25758 3.208478 3.151256 3.082682 2.997111 2.88324 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.40607e-10 5.043844e-10 4.819351000000001e-10 4.6562450000000003e-10 4.5280630000000007e-10 4.4224550000000006e-10 4.332649e-10 4.254526e-10 4.1853920000000004e-10 4.123391e-10 4.067188e-10 4.01579e-10 3.9684400000000003e-10 3.924547e-10 3.883641e-10 3.845339e-10 3.809332e-10 3.7753580000000003e-10 3.7432010000000004e-10 3.712676e-10 3.683626e-10 3.655915e-10 3.629423e-10 3.60405e-10 3.586776e-10 3.568596e-10 3.54941e-10 3.529099e-10 3.5075240000000004e-10 3.484516e-10 3.459871e-10 3.43334e-10 3.4046080000000003e-10 3.373277e-10 3.338831e-10 3.300581e-10 3.25758e-10 3.208478e-10 3.151256e-10 3.082682e-10 2.997111e-10 2.88324e-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" [ 1.54446 1.99907 2.33413 2.60293 2.84342 3.03684 3.20428 3.35068 3.47937 3.59283 3.69295 3.78122 3.85885 3.92682 3.98597 4.037 4.0805 4.11699 4.14694 4.17073 4.18873 4.20125 4.20858 4.21097 4.20981 4.206 4.19893 4.18784 4.17173 4.14933 4.11893 4.07826 4.0242 3.95239 3.85653 3.7273 3.55025 3.30197 2.942 2.39434 1.49863 -0.149173 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.474497703760768e-19 3.202863217342656e-19 3.739688515907904e-19 4.1703535915789447e-19 4.555661047115136e-19 4.865554049110273e-19 5.133822502497024e-19 5.368381159782145e-19 5.574565269112896e-19 5.756348228508865e-19 5.91675815178336e-19 6.058182282101376e-19 6.18255925317408e-19 6.291459198089857e-19 6.386227945210176e-19 6.4679870181696e-19 6.5376817011744e-19 6.596145126067393e-19 6.644130315860352e-19 6.682246097669184e-19 6.711085276843584e-19 6.7311445281360005e-19 6.742888482766465e-19 6.746717684890176e-19 6.744859160010048e-19 6.738754867084801e-19 6.727427478375744e-19 6.709659339651072e-19 6.683848274289984e-19 6.6479595179840645e-19 6.599253348711744e-19 6.534092825543809e-19 6.447479157423361e-19 6.332426854283712e-19 6.178842203413824e-19 5.971792918707841e-19 5.6881275479952e-19 5.290339136582976e-19 4.713603618393601e-19 3.8361555702462723e-19 2.401069949229504e-19 -2.3900149305459843e-20 ] } }