{ "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" [ 5.4184 5.055348 4.830343 4.666864 4.53839 4.432542 4.342531 4.264229 4.194938 4.132796 4.076464 4.024949 3.977491 3.933498 3.892498 3.85411 3.81802 3.783969 3.751739 3.721144 3.692028 3.664253 3.637701 3.61227 3.594957 3.576736 3.557506 3.537149 3.515524 3.492464 3.467763 3.441171 3.412374 3.380972 3.346448 3.30811 3.265011 3.215798 3.158446 3.089716 3.003951 2.88982 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.418400000000001e-10 5.055348000000001e-10 4.830343000000001e-10 4.666864000000001e-10 4.53839e-10 4.432542e-10 4.3425310000000003e-10 4.2642290000000006e-10 4.194938e-10 4.132796e-10 4.0764639999999997e-10 4.0249490000000003e-10 3.977491e-10 3.9334980000000003e-10 3.892498e-10 3.85411e-10 3.8180200000000003e-10 3.783969e-10 3.751739e-10 3.721144e-10 3.6920280000000004e-10 3.664253e-10 3.637701e-10 3.6122700000000003e-10 3.594957e-10 3.5767360000000003e-10 3.557506e-10 3.537149e-10 3.5155240000000003e-10 3.492464e-10 3.4677630000000003e-10 3.4411710000000005e-10 3.412374e-10 3.380972e-10 3.346448e-10 3.3081100000000003e-10 3.265011e-10 3.2157980000000003e-10 3.1584460000000004e-10 3.089716e-10 3.003951e-10 2.88982e-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 0 0.0982657 1.09675 2.10981 2.78038 3.13184 3.29984 3.4443 3.57156 3.68375 3.78256 3.86934 3.94523 4.01117 4.06798 4.11635 4.15688 4.19009 4.21644 4.23635 4.25018 4.25827 4.2609 4.25963 4.25544 4.24767 4.23549 4.21783 4.19328 4.16002 4.11543 4.05559 3.9755 3.86806 3.72278 3.52335 3.24304 2.83552 2.21551 1.20791 -0.646217 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 1.5743900716654655e-20 1.7571872088624e-19 3.3802882563300483e-19 4.454659832939904e-19 5.017760828086272e-19 5.286926500380672e-19 5.51837693502144e-19 5.722269931784448e-19 5.902018126872e-19 6.060329198773249e-19 6.199366085926272e-19 6.320955269678784e-19 6.426602796054336e-19 6.517622449881985e-19 6.59511973303008e-19 6.660055951471105e-19 6.713264237047872e-19 6.755481591005953e-19 6.78738092752608e-19 6.809539030191745e-19 6.822500639054017e-19 6.826714363566721e-19 6.824679599258303e-19 6.8179664792171525e-19 6.805517566873537e-19 6.786003055632193e-19 6.757708616508865e-19 6.718375180468224e-19 6.665086786060417e-19 6.5936457305389445e-19 6.497771481550272e-19 6.3694531559904005e-19 6.197315299851648e-19 5.964551080381825e-19 5.64502899689568e-19 5.195922868319232e-19 4.543003851810816e-19 3.549638325148608e-19 1.9352851620305282e-19 -1.0353537693635138e-19 ] } }