{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.34 4.9822 4.76045 4.599337 4.472722 4.368405 4.279696 4.202527 4.134238 4.072995 4.017478 3.966709 3.919938 3.876581 3.836174 3.798341 3.762773 3.729215 3.697451 3.667299 3.638604 3.611231 3.585063 3.56 3.534662 3.508551 3.481619 3.453811 3.42507 3.39533 3.364519 3.332558 3.299358 3.264817 3.228824 3.19125 3.151952 3.110762 3.067489 3.021912 2.97377 2.92276 2.868515 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.34e-10 4.9822e-10 4.76045e-10 4.599337e-10 4.4727220000000003e-10 4.368405e-10 4.2796960000000005e-10 4.202527e-10 4.134238e-10 4.072995e-10 4.017478e-10 3.966709e-10 3.9199380000000003e-10 3.876581e-10 3.836174e-10 3.7983410000000004e-10 3.7627730000000004e-10 3.729215e-10 3.6974510000000003e-10 3.667299e-10 3.638604e-10 3.611231e-10 3.585063e-10 3.56e-10 3.534662e-10 3.5085510000000006e-10 3.481619e-10 3.453811e-10 3.42507e-10 3.39533e-10 3.364519e-10 3.332558e-10 3.299358e-10 3.264817e-10 3.228824e-10 3.19125e-10 3.1519520000000003e-10 3.110762e-10 3.067489e-10 3.021912e-10 2.9737700000000004e-10 2.92276e-10 2.868515e-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" [ -3.93655 -4.26663 -1.08205 1.63517 2.96834 3.16721 3.08336 3.17131 3.33263 3.50912 3.6772 3.82856 3.95993 4.06966 4.15731 4.22532 4.27708 4.31593 4.34476 4.36584 4.38083 4.3912 4.39766 4.4 4.39694 4.38555 4.3607 4.31538 4.24381 4.14588 4.02981 3.9122 3.81204 3.72757 3.64518 3.56822 3.52768 3.58309 3.83315 4.43392 5.70493 8.60152 15.3252 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -6.3070484285727e-19 -6.83589489192342e-19 -1.7336352268197e-19 2.6198311666177797e-19 4.75580498976756e-19 5.074429856971139e-19 4.9400873462102395e-19 5.080998781170539e-19 5.33946191576742e-19 5.622230069902079e-19 5.891523918544799e-19 6.13402937386704e-19 6.34450731827562e-19 6.52031416032444e-19 6.66074494229454e-19 6.76970897517288e-19 6.852637637748719e-19 6.914882199979619e-19 6.961072952337839e-19 6.99484683578256e-19 7.018863463526219e-19 7.0354780352208e-19 7.04582809627644e-19 7.0495771896e-19 7.044674529099959e-19 7.0264257372387e-19 6.986611647883799e-19 6.91400100283092e-19 6.799333221135539e-19 6.642432063367919e-19 6.45646742145954e-19 6.2680354275348e-19 6.10756141587336e-19 5.97222555559938e-19 5.84022222272412e-19 5.71691870897148e-19 5.65196646822912e-19 5.740743075519059e-19 6.141383364617099e-19 7.103923021025279e-19 9.140305544605619e-19 1.378115436088368e-18 2.45536773513768e-18 ] } }