{ "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" [ "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 5.44198 5.077348 4.851363 4.687174 4.558141 4.451832 4.361429 4.282787 4.213194 4.150781 4.094204 4.042465 3.994801 3.950616 3.909438 3.870882 3.834635 3.800436 3.768066 3.737338 3.708095 3.680199 3.653532 3.62799 3.602168 3.575559 3.548112 3.519773 3.490483 3.460175 3.428777 3.396205 3.36237 3.32717 3.29049 3.252199 3.21215 3.170173 3.126074 3.079627 3.030566 2.978581 2.923301 2.864279 2.800973 2.73271 2.658648 2.577711 2.488488 2.389089 2.276891 2.148101 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.44198e-10 5.077348e-10 4.851363e-10 4.687174e-10 4.558141e-10 4.451832e-10 4.3614290000000005e-10 4.282787e-10 4.2131939999999996e-10 4.1507810000000004e-10 4.0942040000000004e-10 4.042465e-10 3.994801e-10 3.950616e-10 3.909438e-10 3.870882e-10 3.834635e-10 3.800436e-10 3.768066e-10 3.737338e-10 3.7080950000000003e-10 3.680199e-10 3.6535319999999997e-10 3.62799e-10 3.602168e-10 3.5755590000000004e-10 3.548112e-10 3.519773e-10 3.490483e-10 3.460175e-10 3.4287770000000005e-10 3.396205e-10 3.36237e-10 3.3271700000000004e-10 3.29049e-10 3.252199e-10 3.21215e-10 3.170173e-10 3.126074e-10 3.079627e-10 3.030566e-10 2.978581e-10 2.923301e-10 2.864279e-10 2.800973e-10 2.73271e-10 2.658648e-10 2.577711e-10 2.488488e-10 2.3890889999999996e-10 2.2768910000000001e-10 2.148101e-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" [ 0.0420286 0.283869 0.74071 1.29642 1.8683 2.41434 2.91834 3.27486 3.46758 3.63346 3.77306 3.88972 3.98646 4.06593 4.13081 4.18479 4.22821 4.2626 4.28925 4.30928 4.32363 4.3331 4.33837 4.34002 4.33836 4.3332 4.32427 4.31122 4.29364 4.27104 4.24274 4.2079 4.1654 4.11377 4.05104 3.97462 3.88104 3.77402 3.65064 3.50512 3.33522 3.13948 2.91726 2.66793 2.38806 2.0715 1.69639 1.2002 0.462337 -0.693539 -2.59321 -5.78283 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.73372408797324e-21 4.548082789169459e-20 1.18674825457014e-19 2.0770938318502797e-19 2.9933466053022e-19 3.86819913453156e-19 4.67569615806756e-19 5.24690417162124e-19 5.555675652525719e-19 5.821444712573639e-19 6.045108570680039e-19 6.23201849680248e-19 6.387013064375639e-19 6.5143380414796195e-19 6.61828726149354e-19 6.704772756196859e-19 6.77433926564514e-19 6.829438120088399e-19 6.8721361273845e-19 6.90422772536352e-19 6.927218960061419e-19 6.942391572785399e-19 6.95083504364658e-19 6.953478635092679e-19 6.950819021880239e-19 6.942551790448799e-19 6.92824435310718e-19 6.907335948033479e-19 6.879169682807759e-19 6.842960490879359e-19 6.79761889213716e-19 6.7417990582086e-19 6.673706551263599e-19 6.590986171650179e-19 6.49048163139936e-19 6.368043293029079e-19 6.21811160361936e-19 6.04664666024868e-19 5.84897010714576e-19 5.615821363366079e-19 5.34361155324948e-19 5.030001498910319e-19 4.67396580730284e-19 4.27449510714762e-19 3.8260939325900397e-19 3.3189088973309995e-19 2.71791642015126e-19 1.9229323961267998e-19 7.40745538433658e-20 -1.111171980567726e-19 -4.15478046905514e-19 -9.265115104394218e-19 ] } }