{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "B" "B" "B" "B" "B" "B" "B" "B" ] } "a" { "source-value" [ 6.02139 5.617935 5.367889 5.186218 5.043446 4.925818 4.82579 4.738774 4.661772 4.592714 4.530113 4.472865 4.420126 4.371237 4.325674 4.283013 4.242907 4.205067 4.16925 4.135251 4.102894 4.072028 4.042522 4.01426 3.99502 3.974771 3.953401 3.930779 3.906747 3.881121 3.853671 3.82412 3.792118 3.757222 3.718855 3.676251 3.628356 3.573666 3.50993 3.433552 3.338242 3.21141 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.02139e-10 5.617935000000001e-10 5.367889e-10 5.186218000000001e-10 5.043446000000001e-10 4.925818e-10 4.82579e-10 4.738774e-10 4.661772e-10 4.592714e-10 4.530113e-10 4.472865e-10 4.420126e-10 4.371237e-10 4.3256740000000004e-10 4.2830130000000006e-10 4.242907e-10 4.2050669999999996e-10 4.16925e-10 4.1352510000000006e-10 4.102894e-10 4.0720280000000007e-10 4.042522e-10 4.0142600000000005e-10 3.99502e-10 3.974771e-10 3.9534010000000003e-10 3.930779e-10 3.9067470000000006e-10 3.881121e-10 3.853671e-10 3.8241200000000004e-10 3.792118e-10 3.757222e-10 3.718855e-10 3.6762510000000004e-10 3.628356e-10 3.573666e-10 3.50993e-10 3.433552e-10 3.3382420000000004e-10 3.21141e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0.468332 2.72133 3.59441 3.91412 4.09823 4.25334 4.38564 4.49942 4.59778 4.68303 4.75698 4.82103 4.87635 4.92386 4.96436 4.99849 5.02682 5.04983 5.06794 5.08151 5.09088 5.09631 5.09807 5.09723 5.09446 5.08935 5.08138 5.06988 5.05399 5.03259 5.00417 4.96671 4.91738 4.85218 4.7652 4.64744 4.48449 4.15286 2.89297 1.65797 0.582599 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 7.50350587354488e-20 4.36005133940322e-19 5.758879715015939e-19 6.27111160667208e-19 6.566088346757819e-19 6.814601964457559e-19 7.02656993313576e-19 7.208865590552279e-19 7.36645568427252e-19 7.503041242321019e-19 7.6215222044053205e-19 7.72414161781302e-19 7.812774029205901e-19 7.88889344108724e-19 7.95378159476424e-19 8.00846388328266e-19 8.053853547323879e-19 8.09071963167222e-19 8.11973505051396e-19 8.141476587437339e-19 8.1564889824979195e-19 8.165188801620539e-19 8.16800863249638e-19 8.166662804123819e-19 8.162224774847639e-19 8.154037652247899e-19 8.14126830447492e-19 8.12284327318392e-19 8.097384686469659e-19 8.063098106502059e-19 8.01756424656378e-19 7.957546709854139e-19 7.878511336498919e-19 7.774049419962119e-19 7.634692096336799e-19 7.446019775916959e-19 7.18494509340666e-19 6.65361525627324e-19 4.635048936862979e-19 2.6563607938729795e-19 9.33426504791766e-20 ] } }