{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.0358 7.497372 7.163675 6.921227 6.730692 6.573713 6.440221 6.324095 6.221332 6.129171 6.045628 5.969228 5.898846 5.833601 5.772795 5.715863 5.662339 5.61184 5.56404 5.518667 5.475486 5.434294 5.394916 5.3572 5.331524 5.3045 5.275981 5.24579 5.21372 5.17952 5.142887 5.10345 5.060741 5.014171 4.962969 4.906111 4.842193 4.769207 4.684149 4.582219 4.455023 4.28576 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.0358e-10 7.497372000000001e-10 7.163675e-10 6.921227e-10 6.730692000000001e-10 6.573713e-10 6.440221000000001e-10 6.324095e-10 6.221332000000001e-10 6.129171000000001e-10 6.045628e-10 5.969228e-10 5.898846000000001e-10 5.833601e-10 5.772795e-10 5.715862999999999e-10 5.662339e-10 5.611840000000001e-10 5.564040000000001e-10 5.518667e-10 5.475486e-10 5.434294000000001e-10 5.394916000000001e-10 5.3572e-10 5.331524e-10 5.304500000000001e-10 5.275981e-10 5.245790000000001e-10 5.21372e-10 5.179520000000001e-10 5.142887e-10 5.10345e-10 5.060741000000001e-10 5.014171e-10 4.962969000000001e-10 4.906111000000001e-10 4.842193e-10 4.769207e-10 4.684148999999999e-10 4.5822190000000003e-10 4.4550229999999997e-10 4.28576e-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" [ 0.750554 1.04831 1.26357 1.43587 1.58119 1.70353 1.8082 1.89863 1.97725 2.04583 2.10575 2.15808 2.20704 2.24998 2.28751 2.3201 2.34817 2.37206 2.39209 2.40851 2.42157 2.43157 2.43678 2.43813 2.43746 2.43528 2.43125 2.42495 2.41582 2.40314 2.38598 2.36308 2.33271 2.29246 2.23889 2.16772 2.07072 1.93502 1.73887 1.44144 0.956639 0.0753129 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2025200714479233e-19 1.6795777733508482e-19 2.0244623127442563e-19 2.300517344508096e-19 2.533345651042752e-19 2.729355938831424e-19 2.8970557657305602e-19 3.0419405975495043e-19 3.1679037234768e-19 3.2777809961312645e-19 3.3737834192496e-19 3.457625321816064e-19 3.5360678891704324e-19 3.604865353267584e-19 3.6649950418462085e-19 3.7172099779180804e-19 3.7621830756639364e-19 3.800459075134848e-19 3.8325506728494723e-19 3.8588584129630086e-19 3.8797828396306564e-19 3.895804605838656e-19 3.9041519460330246e-19 3.906314884471104e-19 3.9052414261351684e-19 3.9017486811018244e-19 3.89529190932e-19 3.8851981966089604e-19 3.8705703240610563e-19 3.850254724509312e-19 3.822761373696384e-19 3.7860715290800645e-19 3.7374134251063685e-19 3.6729258161191687e-19 3.5870972145429125e-19 3.4730703044405764e-19 3.3176591722229765e-19 3.100243804780416e-19 2.785976860610496e-19 2.3094414682859523e-19 1.5327046403454913e-19 1.2066456762464832e-20 ] } }