{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Fe" ] } "a" { "source-value" [ 3.66156 3.416222 3.264171 3.153698 3.06688 2.995351 2.934525 2.881612 2.834787 2.792793 2.754726 2.719914 2.687844 2.658115 2.630409 2.604467 2.580079 2.557068 2.535288 2.514613 2.494938 2.476168 2.458226 2.44104 2.423666 2.405762 2.387295 2.368228 2.34852 2.328128 2.307002 2.285087 2.262321 2.238637 2.213957 2.188194 2.161247 2.133004 2.103332 2.072081 2.039071 2.004094 1.966899 1.927187 1.884592 1.838662 1.788831 1.734373 1.674341 1.607462 1.53197 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.66156e-10 3.416222e-10 3.264171e-10 3.153698e-10 3.06688e-10 2.995351e-10 2.934525e-10 2.8816120000000004e-10 2.834787e-10 2.7927930000000003e-10 2.754726e-10 2.7199140000000004e-10 2.6878440000000003e-10 2.658115e-10 2.6304090000000003e-10 2.604467e-10 2.580079e-10 2.557068e-10 2.5352880000000003e-10 2.5146130000000003e-10 2.494938e-10 2.476168e-10 2.458226e-10 2.44104e-10 2.423666e-10 2.4057620000000004e-10 2.387295e-10 2.3682280000000003e-10 2.3485200000000004e-10 2.328128e-10 2.3070020000000003e-10 2.285087e-10 2.262321e-10 2.2386370000000003e-10 2.2139570000000003e-10 2.1881940000000002e-10 2.161247e-10 2.1330040000000003e-10 2.103332e-10 2.072081e-10 2.039071e-10 2.004094e-10 1.9668990000000001e-10 1.927187e-10 1.8845920000000002e-10 1.838662e-10 1.788831e-10 1.734373e-10 1.6743410000000002e-10 1.607462e-10 1.53197e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.654591 1.06413 1.4151 1.68666 1.92822 2.15745 2.35421 2.50998 2.64165 2.76282 2.87549 2.97736 3.06694 3.1443 3.21033 3.26617 3.31294 3.35159 3.38294 3.40767 3.42629 3.43922 3.44678 3.44924 3.44659 3.43807 3.42276 3.39972 3.36812 3.32712 3.27508 3.20995 3.12924 3.02975 2.90821 2.7611 2.58282 2.3614 2.07163 1.67481 1.13433 0.432279 -0.448195 -1.5632 -3.01927 -4.96055 -7.576 -11.1389 -16.1979 -23.6575 -34.974 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.048770405026694e-19 1.7049242215384198e-19 2.2672401547734e-19 2.70232724150244e-19 3.08934902921148e-19 3.4566159790232994e-19 3.77186025352914e-19 4.02143130780732e-19 4.2323899052060995e-19 4.42652564794788e-19 4.6070428893006595e-19 4.77025662300624e-19 4.91377960587996e-19 5.037723990286199e-19 5.14351571342922e-19 5.232981256671779e-19 5.30791505784396e-19 5.36983918474806e-19 5.420067422223959e-19 5.45968925038278e-19 5.489521779307859e-19 5.51023792318548e-19 5.522350378538519e-19 5.52629173305816e-19 5.52204596497806e-19 5.50839542005638e-19 5.48386609578984e-19 5.446951946142479e-19 5.396323164508079e-19 5.330633922514079e-19 5.24725665048072e-19 5.142906886308299e-19 5.013595210178159e-19 4.8541946568615e-19 4.659466108765139e-19 4.4237699041373995e-19 4.1381338538278793e-19 3.7833799035276e-19 3.3191171802934196e-19 2.6833414483895395e-19 1.81739702124522e-19 6.92587313168886e-20 -7.1808755647563e-20 -2.5045225142688e-19 -4.83740384573718e-19 -7.947677301788699e-19 -1.2138090179183999e-18 -1.7846485308462598e-18 -2.59518968998686e-18 -3.7903493718854995e-18 -5.6034525597515994e-18 ] } }