{ "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 3.542937 3.52498 3.506028 3.485965 3.464654 3.441927 3.417584 3.391376 3.362996 3.332048 3.298023 3.26024 3.217764 3.169263 3.11274 3.045004 2.96048 ] "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 3.542937e-10 3.52498e-10 3.506028e-10 3.4859650000000004e-10 3.4646540000000003e-10 3.441927e-10 3.417584e-10 3.3913760000000004e-10 3.362996e-10 3.332048e-10 3.2980230000000005e-10 3.26024e-10 3.217764e-10 3.169263e-10 3.1127400000000004e-10 3.045004e-10 2.96048e-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 4.39866 4.39386 4.38387 4.36584 4.33575 4.28887 4.22117 4.1315 4.02398 3.91046 3.80849 3.71706 3.62063 3.53779 3.57711 4.07676 6.2517 ] "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 7.047430272910439e-19 7.03973982506724e-19 7.02373408049358e-19 6.99484683578256e-19 6.946637340865499e-19 6.87152730026358e-19 6.76305994214178e-19 6.619392763370999e-19 6.447126731683319e-19 6.26524764019164e-19 6.101873688822659e-19 5.95538667917604e-19 5.800888786359419e-19 5.66816447399886e-19 5.731162059247739e-19 6.53168961442584e-19 1.00163276627778e-18 ] } }