{ "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" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" ] } "a" { "source-value" [ 9.3712 8.743296 8.354146 8.071407 7.849209 7.666143 7.510468 7.375044 7.255203 7.147727 7.050301 6.961205 6.879126 6.80304 6.732129 6.665736 6.603317 6.544426 6.488683 6.43577 6.385412 6.337375 6.291454 6.24747 6.203004 6.157182 6.109918 6.061118 6.01068 5.958489 5.904419 5.84833 5.790066 5.72945 5.666285 5.600347 5.531382 5.459097 5.383157 5.303173 5.21869 5.12917 5.033977 4.93234 4.823324 4.705773 4.578237 4.43886 4.285217 4.11405 3.920841 3.699061 3.438772 3.12373 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.3712e-10 8.743296000000001e-10 8.354146e-10 8.071407000000001e-10 7.849209e-10 7.666143e-10 7.510468e-10 7.375044e-10 7.255203e-10 7.147727e-10 7.050301e-10 6.961205e-10 6.879126000000001e-10 6.803040000000001e-10 6.732129e-10 6.665736e-10 6.603317e-10 6.544426e-10 6.488683e-10 6.43577e-10 6.385412e-10 6.337375e-10 6.291454e-10 6.24747e-10 6.203004e-10 6.157182e-10 6.109918e-10 6.061117999999999e-10 6.01068e-10 5.958489e-10 5.904419e-10 5.84833e-10 5.790066000000001e-10 5.72945e-10 5.666285000000001e-10 5.600347e-10 5.531382e-10 5.459097e-10 5.383157e-10 5.303173000000001e-10 5.21869e-10 5.12917e-10 5.033977e-10 4.93234e-10 4.823324000000001e-10 4.705773e-10 4.5782369999999997e-10 4.43886e-10 4.2852170000000006e-10 4.11405e-10 3.920841e-10 3.699061e-10 3.4387720000000004e-10 3.12373e-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" [ 0.56525 0.830366 1.03893 1.21187 1.35916 1.48772 1.60295 1.70291 1.79047 1.8678 1.93616 1.99649 2.04956 2.09601 2.1364 2.17121 2.20097 2.22624 2.24749 2.26471 2.27769 2.2866 2.29175 2.29341 2.29163 2.28588 2.27545 2.25952 2.23707 2.20691 2.16758 2.11732 2.054 1.975 1.87708 1.75626 1.60754 1.42471 1.20009 0.92325 0.580009 0.15281 -0.381724 -1.05439 -1.91012 -3.01392 -4.45557 -6.36887 -8.95479 -12.5505 -17.7046 -25.3853 -37.412 -57.4811 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.056303423685e-20 1.330393002868044e-19 1.6645493703616198e-19 1.9416297974455798e-19 2.1776143938674397e-19 2.38359022193448e-19 2.5682090354703e-19 2.7283626118049395e-19 2.86864919787798e-19 2.9925455169852e-19 3.10207031168544e-19 3.19872962801466e-19 3.28375714198104e-19 3.35817824663034e-19 3.4228901608776e-19 3.4786619295071395e-19 3.5263427061349796e-19 3.56682970967616e-19 3.6008759631486597e-19 3.62846544478614e-19 3.64926169749546e-19 3.6635370913044e-19 3.6717883009694996e-19 3.67444791418194e-19 3.67159603977342e-19 3.66238352412792e-19 3.6456728218353003e-19 3.6201501480556803e-19 3.58418128262238e-19 3.53585963534094e-19 3.4728460283257197e-19 3.3923206307008796e-19 3.2908708062359994e-19 3.16429885215e-19 3.00741371614872e-19 2.81383873522884e-19 2.5755630262203597e-19 2.28263707222614e-19 1.92275615669706e-19 1.4792095773404998e-19 9.292768673097059e-20 2.4482861144154e-20 -6.11589273437016e-20 -1.68931902112326e-19 -3.06034963213608e-19 -4.82883220074528e-19 -7.138610145151379e-19 -1.020405469898358e-18 -1.4347155300376858e-18 -2.0108117845016997e-18 -2.8365896434316398e-18 -4.06717345070802e-18 -5.9940632231208e-18 -9.209487531661739e-18 ] } }