{ "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" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" [ 8.42585 7.861286 7.511392 7.257176 7.057392 6.892793 6.752822 6.631059 6.523307 6.426673 6.339075 6.258966 6.185167 6.116756 6.052999 5.993302 5.937181 5.88423 5.83411 5.786535 5.741257 5.698066 5.656777 5.61723 5.590307 5.561972 5.532069 5.500412 5.466785 5.430925 5.392514 5.351162 5.306381 5.257549 5.203862 5.144245 5.077223 5.000694 4.911508 4.804629 4.671259 4.49378 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.42585e-10 7.861286e-10 7.511392e-10 7.257176e-10 7.057392e-10 6.892793e-10 6.752822e-10 6.631058999999999e-10 6.523307e-10 6.426673e-10 6.339075000000001e-10 6.258966e-10 6.185167e-10 6.116755999999999e-10 6.052999e-10 5.993302e-10 5.937181e-10 5.884229999999999e-10 5.83411e-10 5.786535e-10 5.741257e-10 5.698066e-10 5.656777e-10 5.61723e-10 5.590307e-10 5.561972e-10 5.532069e-10 5.500412e-10 5.466785e-10 5.430925e-10 5.392514e-10 5.351162e-10 5.306381000000001e-10 5.257549e-10 5.203862e-10 5.144245e-10 5.077223e-10 5.000694e-10 4.911508000000001e-10 4.804629e-10 4.671259000000001e-10 4.4937800000000004e-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" [ 0.762517 0.815047 0.843055 0.859385 0.86881 0.873661 0.895937 0.982262 0.992249 0.992466 0.991282 0.98894 0.985622 0.981473 0.976606 0.971116 0.965076 0.958551 0.951593 0.944654 1.01571 1.08223 1.11018 1.11618 1.11461 1.11109 1.10678 1.10187 1.09627 1.08984 1.08241 1.07376 1.0636 1.05155 1.03706 1.01936 0.997323 0.969188 0.93206 0.880779 0.806765 0.682567 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2216869103625538e-19 1.3058492482531775e-19 1.350723011048544e-19 1.376886555266208e-19 1.391987069917248e-19 1.399759228704749e-19 1.4354493151096896e-19 1.5737572119002496e-19 1.5897581498121794e-19 1.5901058221388928e-19 1.5882088450198656e-19 1.5844565473739522e-19 1.5791405253461376e-19 1.5724930945464385e-19 1.5646953009330048e-19 1.5558993512848129e-19 1.546222204495181e-19 1.535768002044461e-19 1.5246200571169346e-19 1.5135025535452033e-19 1.6273468155127678e-19 1.7339236043283843e-19 1.7787044408797441e-19 1.788317500604544e-19 1.7858020833098883e-19 1.780162421604672e-19 1.7732570403690244e-19 1.765390353160896e-19 1.7564181640844162e-19 1.746116168412672e-19 1.7342119961201283e-19 1.7203531683502083e-19 1.7040750538828803e-19 1.6847688256022402e-19 1.6615532863668482e-19 1.6331947601786882e-19 1.5978875939861183e-19 1.5528103547599106e-19 1.493324741182848e-19 1.4111635218916032e-19 1.292580021479712e-19 1.0935928895295936e-19 ] } }