{ "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" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 7.79703 7.2746 6.950819 6.715575 6.530701 6.378386 6.248861 6.136186 6.036476 5.947053 5.865993 5.791863 5.723571 5.660266 5.601267 5.546026 5.494093 5.445094 5.398714 5.354689 5.312791 5.272823 5.234616 5.19802 5.173107 5.146887 5.119215 5.089921 5.058803 5.02562 4.990076 4.95181 4.910371 4.865185 4.815504 4.760336 4.698317 4.6275 4.54497 4.446069 4.322653 4.15842 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.79703e-10 7.274600000000001e-10 6.950819e-10 6.715575e-10 6.530701e-10 6.378386e-10 6.248861e-10 6.136186000000001e-10 6.036476e-10 5.947053000000001e-10 5.865993e-10 5.791863e-10 5.723571e-10 5.660266e-10 5.601267e-10 5.546026e-10 5.494093000000001e-10 5.445094e-10 5.398714e-10 5.354689e-10 5.312791e-10 5.272823e-10 5.234616e-10 5.19802e-10 5.173107e-10 5.146887000000001e-10 5.119215e-10 5.089921000000001e-10 5.058803e-10 5.02562e-10 4.990076000000001e-10 4.95181e-10 4.910371e-10 4.865185e-10 4.815504e-10 4.760336e-10 4.698317e-10 4.6275000000000003e-10 4.5449700000000006e-10 4.4460689999999997e-10 4.322653e-10 4.1584199999999995e-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" [ 0.64831 0.886245 1.05911 1.19451 1.3047 1.39638 1.48433 1.55363 1.61361 1.66572 1.71106 1.75051 1.78474 1.81431 1.8397 1.86128 1.87937 1.89427 1.9072 1.91831 1.92606 1.93133 1.9344 1.9354 1.93491 1.93334 1.93042 1.92585 1.91924 1.91008 1.89769 1.88117 1.85931 1.83039 1.79197 1.74042 1.67018 1.57229 1.43134 1.21871 0.87455 0.25028 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0387071250308481e-19 1.419921019300896e-19 1.696881280855488e-19 1.913815995311808e-19 2.09035983715776e-19 2.237247389752704e-19 2.378158823552064e-19 2.489189663373504e-19 2.585288217089088e-19 2.668777640798976e-19 2.741420328786048e-19 2.804626196476608e-19 2.8594687022065924e-19 2.9068450648836484e-19 2.94752432928576e-19 2.9820993007626243e-19 3.0110826758328963e-19 3.034955107482816e-19 3.05567125118976e-19 3.073471433446848e-19 3.0858883022580484e-19 3.0943317730496643e-19 3.09925045527552e-19 3.10085263189632e-19 3.100067565352128e-19 3.097552148057472e-19 3.0928737923247364e-19 3.0855518451676803e-19 3.0749614577041924e-19 3.0602855198576644e-19 3.0404345515259524e-19 3.013966593750336e-19 2.9789430128196484e-19 2.932608064946112e-19 2.871052439174976e-19 2.788460234372736e-19 2.675923348527744e-19 2.5190862791176323e-19 2.2932594844158724e-19 1.952588669535168e-19 1.4011835637206403e-19 4.00992764653824e-20 ] } }