{ "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" [ 2.4744977241476397e-19 3.2028632437303795e-19 3.7396885467184196e-19 4.17035362593762e-19 4.55566108464828e-19 4.86555408919656e-19 5.133822544793519e-19 5.36838120401112e-19 5.574565315040579e-19 5.75634827593422e-19 5.9167582005303e-19 6.058182332013479e-19 6.1825593041109e-19 6.29145924992388e-19 6.38622799782498e-19 6.467987071457999e-19 6.537681755036999e-19 6.59614518041166e-19 6.64413037059996e-19 6.68224615272282e-19 6.711085332134819e-19 6.731144583592499e-19 6.74288853831972e-19 6.746717740474979e-19 6.74485921557954e-19 6.738754922604e-19 6.727427533801619e-19 6.709659394930559e-19 6.68384832935682e-19 6.647959572755219e-19 6.599253403081619e-19 6.534092879376839e-19 6.4474792105428e-19 6.332426906455259e-19 6.17884225432002e-19 5.9717929679082e-19 5.6881275948585e-19 5.290339180168979e-19 4.713603657228e-19 3.83615560185156e-19 2.4010699690114196e-19 -2.39001495023682e-20 ] } }