{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.43 5.06617 4.840683 4.676854 4.548105 4.44203 4.351826 4.273356 4.203916 4.141641 4.085189 4.033563 3.986004 3.941917 3.900829 3.862358 3.826191 3.792067 3.759767 3.729108 3.699929 3.672094 3.645486 3.62 3.60265 3.58439 3.565118 3.544718 3.523047 3.499937 3.475183 3.448534 3.419675 3.388206 3.353608 3.315188 3.271996 3.222678 3.165202 3.096325 3.010375 2.896 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.43e-10 5.06617e-10 4.840683e-10 4.676853999999999e-10 4.5481049999999996e-10 4.44203e-10 4.351826e-10 4.273356e-10 4.203916000000001e-10 4.141641e-10 4.085189e-10 4.033563e-10 3.986004e-10 3.9419170000000004e-10 3.900829e-10 3.862358e-10 3.8261910000000004e-10 3.792067e-10 3.759767e-10 3.729108e-10 3.6999290000000003e-10 3.6720940000000003e-10 3.645486e-10 3.6200000000000004e-10 3.6026500000000005e-10 3.58439e-10 3.565118e-10 3.544718e-10 3.523047e-10 3.4999370000000004e-10 3.475183e-10 3.448534e-10 3.419675e-10 3.388206e-10 3.353608e-10 3.3151880000000004e-10 3.2719960000000005e-10 3.2226780000000004e-10 3.165202e-10 3.096325e-10 3.010375e-10 2.896e-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" [ 0.925391 1.36505 1.68859 1.95403 2.17834 2.37124 2.53894 2.68576 2.81483 2.92853 3.02874 3.11695 3.1943 3.26129 3.31937 3.36951 3.41228 3.44814 3.47752 3.50081 3.51838 3.53057 3.53768 3.54 3.53888 3.53521 3.5284 3.51775 3.50231 3.48089 3.45191 3.41325 3.36204 3.29425 3.20416 3.08326 2.91854 2.68902 2.35874 1.86092 1.05626 -0.400628 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.482639837513894e-19 2.1870512142417e-19 2.70541944240606e-19 3.1307012081350197e-19 3.4900854489075595e-19 3.7991453216061596e-19 4.06783034312796e-19 4.30306191653184e-19 4.50985485468222e-19 4.6920223379680195e-19 4.85257645846116e-19 4.9939044593463e-19 5.117832821986199e-19 5.22516263469786e-19 5.31821705360058e-19 5.398550190029339e-19 5.467075284665519e-19 5.5245293387607595e-19 5.57160128826768e-19 5.608915982073539e-19 5.637066225532919e-19 5.656596758701379e-19 5.66798823456912e-19 5.67170528436e-19 5.669910846529919e-19 5.66403085828314e-19 5.6531200354056e-19 5.6360568542535e-19 5.611319247024539e-19 5.57700062352426e-19 5.530569544670939e-19 5.468629396000499e-19 5.386581930573359e-19 5.2779703765545e-19 5.133630283597439e-19 4.93992712854684e-19 4.67601659339436e-19 4.30828501235868e-19 3.77911811368116e-19 2.9815225417432796e-19 1.69231509142884e-19 -6.418768205261519e-20 ] } }