{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.18436 7.635978 7.296112 7.049182 6.855124 6.695243 6.559284 6.44101 6.336347 6.242483 6.157395 6.079583 6.007899 5.941448 5.879519 5.821534 5.767021 5.715587 5.666904 5.620692 5.576712 5.534759 5.494653 5.45624 5.417406 5.377387 5.336109 5.293489 5.249439 5.203858 5.156636 5.107651 5.056766 5.003827 4.948662 4.891075 4.830844 4.767714 4.701392 4.631538 4.557754 4.479573 4.396435 4.30767 4.212461 4.109798 3.998415 3.87669 3.742505 3.593016 3.424277 3.230586 3.003263 2.72812 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.18436e-10 7.635978e-10 7.296112e-10 7.049182e-10 6.855124e-10 6.695243e-10 6.559284e-10 6.441010000000001e-10 6.336347000000001e-10 6.242483000000001e-10 6.157395e-10 6.079583e-10 6.007899e-10 5.941448000000001e-10 5.879519e-10 5.821533999999999e-10 5.767021e-10 5.715587e-10 5.666904e-10 5.620692000000001e-10 5.576712e-10 5.534759000000001e-10 5.494653e-10 5.456240000000001e-10 5.417406e-10 5.377386999999999e-10 5.336109000000001e-10 5.293489e-10 5.249439e-10 5.203858e-10 5.156636e-10 5.107651e-10 5.056766e-10 5.003827e-10 4.948662e-10 4.891075e-10 4.830844e-10 4.767714e-10 4.701392e-10 4.631538e-10 4.5577540000000003e-10 4.4795730000000004e-10 4.396435e-10 4.3076700000000003e-10 4.212461e-10 4.109798e-10 3.998415e-10 3.87669e-10 3.7425050000000003e-10 3.5930160000000003e-10 3.424277e-10 3.2305860000000004e-10 3.003263e-10 2.7281200000000003e-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" [ 0.288701 0.544802 0.813501 1.08897 1.36304 1.62571 1.86554 2.06901 2.22368 2.33179 2.40069 2.43902 2.45574 2.46187 2.46927 2.48518 2.5046 2.52555 2.54592 2.56349 2.57581 2.58203 2.58543 2.58629 2.58514 2.58025 2.57155 2.55855 2.5405 2.51641 2.48511 2.44576 2.39587 2.33375 2.25692 2.1622 2.04565 1.90224 1.72583 1.50751 1.23651 0.898793 0.473297 -0.0670521 -0.760612 -1.66476 -2.86278 -4.48504 -6.73905 -9.97857 -14.8345 -22.5475 -35.8012 -61.3791 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.6254999641243395e-20 8.728690345564679e-20 1.3033722939356339e-19 1.74472228912698e-19 2.1838308392073597e-19 2.60467457566014e-19 2.9889245977923597e-19 3.31491947751234e-19 3.5627281374931196e-19 3.7359394533948595e-19 3.84632942347746e-19 3.90774085385868e-19 3.93452924717916e-19 3.944350589945579e-19 3.9562066970371793e-19 3.98169732728412e-19 4.0128115975163996e-19 4.0463771979987e-19 4.0790135360332803e-19 4.1071637794926594e-19 4.12690259562354e-19 4.13686813428702e-19 4.14231553484262e-19 4.14369340674786e-19 4.1418509036187596e-19 4.1340162598784994e-19 4.120077323162699e-19 4.0992490269206996e-19 4.070329738677e-19 4.03173330356394e-19 3.98158517491974e-19 3.9185395243718395e-19 3.83860693210158e-19 3.7390797195975003e-19 3.6159844888072796e-19 3.4642263180347996e-19 3.2774926313421e-19 3.0477244802601597e-19 2.7650845002562195e-19 2.4152972975213395e-19 1.9811074297073398e-19 1.4400251434027618e-19 7.58305394342298e-20 -1.074293078806314e-20 -1.2186347739400078e-19 -2.66723957321784e-19 -4.586679224282519e-19 -7.185826290555359e-19 -1.07971484453577e-18 -1.5987431694733377e-18 -2.3767489277073e-18 -3.6125077655114994e-18 -5.73598461091608e-18 -9.83401598359494e-18 ] } }