{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.2891 4.001714 3.823604 3.694198 3.5925 3.508713 3.437462 3.375479 3.320629 3.271439 3.226848 3.186069 3.148503 3.113679 3.081224 3.050836 3.022268 2.995314 2.969801 2.945583 2.922535 2.900549 2.879531 2.8594 2.839048 2.818076 2.796444 2.774109 2.751024 2.727137 2.70239 2.676718 2.650051 2.622308 2.593398 2.563219 2.531655 2.498571 2.463814 2.427206 2.388539 2.347567 2.303998 2.25748 2.207585 2.153783 2.095411 2.03162 1.961299 1.882958 1.794528 1.693023 1.573891 1.4297 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.2891000000000007e-10 4.001714e-10 3.8236040000000004e-10 3.6941980000000004e-10 3.5925e-10 3.5087130000000005e-10 3.437462e-10 3.375479e-10 3.320629e-10 3.271439e-10 3.226848e-10 3.186069e-10 3.148503e-10 3.113679e-10 3.081224e-10 3.050836e-10 3.022268e-10 2.9953140000000003e-10 2.969801e-10 2.9455830000000004e-10 2.922535e-10 2.900549e-10 2.8795310000000003e-10 2.8594e-10 2.839048e-10 2.818076e-10 2.7964440000000004e-10 2.774109e-10 2.751024e-10 2.727137e-10 2.70239e-10 2.676718e-10 2.650051e-10 2.622308e-10 2.593398e-10 2.5632190000000004e-10 2.5316550000000003e-10 2.498571e-10 2.463814e-10 2.427206e-10 2.388539e-10 2.347567e-10 2.3039980000000001e-10 2.2574800000000003e-10 2.207585e-10 2.1537829999999999e-10 2.095411e-10 2.0316200000000002e-10 1.961299e-10 1.882958e-10 1.794528e-10 1.693023e-10 1.573891e-10 1.4297e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 1.26747 1.54848 1.77623 1.96684 2.12941 2.62283 2.76815 2.89555 3.0075 3.10594 3.1924 3.26814 3.33419 3.39145 3.44064 3.48241 3.51732 3.54585 3.56844 3.58547 3.59727 3.60415 3.60638 3.60399 3.59625 3.58225 3.5609 3.53089 3.49067 3.43839 3.3718 3.28819 3.18425 3.05594 2.89824 2.70492 2.46816 2.53254 2.21552 1.82381 1.33816 0.73314 -0.0253777 -0.983938 -2.20727 -2.86203 -4.64775 -6.56294 -9.47632 -13.3233 -17.9238 -21.9012 -20.62 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.03071081829598e-19 2.48093847421632e-19 2.8458342026098196e-19 3.1512250908165597e-19 3.41169094620594e-19 4.20223694095422e-19 4.4350652494071e-19 4.6391825525787e-19 4.818546226754999e-19 4.976264494605959e-19 5.1147886863816e-19 5.236137544640759e-19 5.341961311316459e-19 5.4337019453793e-19 5.51251301400576e-19 5.579435932007939e-19 5.635367918300879e-19 5.6810780176689e-19 5.71727118783096e-19 5.74455625590798e-19 5.76346194018918e-19 5.7744849154311e-19 5.77805776932492e-19 5.77422856716966e-19 5.7618277200225e-19 5.7393972471465e-19 5.7051907760106e-19 5.657109455224259e-19 5.59266991100478e-19 5.50890811657926e-19 5.4022191745212e-19 5.268261186152459e-19 5.1017309468145e-19 4.8961556629059595e-19 4.643492407724159e-19 4.3337596208392797e-19 3.95442828097344e-19 4.05757641267036e-19 3.54965437615968e-19 2.9220657668555395e-19 2.1439686845534398e-19 1.1746197774507599e-19 -4.0659557964661794e-21 -1.5764424729046918e-19 -3.5364364189291796e-19 -4.58547759180702e-19 -7.4465164506735e-19 -1.051498911834396e-18 -1.5182738480306879e-18 -2.1346279947772196e-18 -2.87170935524892e-18 -3.50895908965608e-18 -3.3036882193079998e-18 ] } }