{ "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" [ "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" [ 4.74458 4.426675 4.22965 4.086501 3.974003 3.881318 3.8025 3.733935 3.673261 3.618846 3.56952 3.524411 3.482855 3.444332 3.408431 3.374816 3.343214 3.313397 3.285175 3.258385 3.23289 3.208569 3.185319 3.16305 3.14789 3.131935 3.115096 3.09727 3.078335 3.058142 3.036513 3.013228 2.988012 2.960515 2.930284 2.896714 2.858975 2.815881 2.765661 2.705478 2.630378 2.53044 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.74458e-10 4.4266750000000006e-10 4.2296500000000005e-10 4.086501e-10 3.9740030000000004e-10 3.881318e-10 3.8025000000000006e-10 3.7339349999999997e-10 3.673261e-10 3.618846e-10 3.56952e-10 3.524411e-10 3.482855e-10 3.444332e-10 3.4084310000000004e-10 3.374816e-10 3.343214e-10 3.313397e-10 3.2851750000000005e-10 3.258385e-10 3.2328899999999997e-10 3.208569e-10 3.1853189999999997e-10 3.1630500000000003e-10 3.14789e-10 3.131935e-10 3.115096e-10 3.09727e-10 3.0783350000000004e-10 3.0581420000000005e-10 3.036513e-10 3.013228e-10 2.988012e-10 2.960515e-10 2.930284e-10 2.896714e-10 2.858975e-10 2.815881e-10 2.765661e-10 2.705478e-10 2.630378e-10 2.53044e-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" [ 1.06222 1.10093 1.01422 0.802746 0.546314 -0.133816 -9.36643 -19.7612 -20.0502 -20.3906 -20.7847 -21.2314 -21.7287 -22.2712 -22.8519 -23.4649 -24.1049 -24.7679 -25.4513 -26.1535 -26.8724 -27.6061 -19.701 -9.58921 -10.0034 -10.4628 -11.1988 -12.2921 -13.9333 -14.8217 -15.8182 -16.944 -18.2267 -19.7033 -21.4236 -23.4576 -25.9081 -28.9288 -32.7692 -37.8524 -44.973 -55.9686 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.701864050146176e-19 1.763884307137344e-19 1.624959572347776e-19 1.2861408736407168e-19 8.752915184157313e-20 -2.143968666889728e-20 -1.5006675166359744e-18 -3.166093263895296e-18 -3.2123961682364163e-18 -3.266934260408448e-18 -3.3300760410341764e-18 -3.4016452706853122e-18 -3.481321514037696e-18 -3.568239595716096e-18 -3.661277992085952e-18 -3.759491418940992e-18 -3.862030722672193e-18 -3.9682550326312324e-18 -4.077747782896704e-18 -4.19025262520928e-18 -4.3054331024785924e-18 -4.4229848011466885e-18 -3.1564481606380804e-18 -1.5363608073941569e-18 -1.602721360851072e-18 -1.6763253548106241e-18 -1.7942455541015043e-18 -1.969411524053568e-18 -2.232360751059264e-18 -2.374698122051136e-18 -2.534355022313856e-18 -2.71472806628352e-18 -2.9202392614335363e-18 -3.156816661260864e-18 -3.4324391053370883e-18 -3.7583218300078084e-18 -4.1509352109348485e-18 -4.634904702779904e-18 -5.250204612231936e-18 -6.064623032116993e-18 -7.20546891672384e-18 -8.967158241890689e-18 ] } }