{ "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" [ "I" "I" "I" "I" "I" "I" "I" "I" ] } "a" { "source-value" [ 9.27303 8.651703 8.266629 7.986852 7.766982 7.585833 7.431789 7.297783 7.179198 7.072847 6.976442 6.888279 6.80706 6.73177 6.661603 6.595904 6.53414 6.475865 6.420706 6.368347 6.318517 6.270983 6.225543 6.18202 6.152391 6.121207 6.088297 6.053457 6.016449 5.976984 5.934711 5.889202 5.839918 5.786178 5.727092 5.661481 5.587722 5.503499 5.405345 5.287722 5.140943 4.94562 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.27303e-10 8.651703e-10 8.266629e-10 7.986852e-10 7.766982e-10 7.585833e-10 7.431789000000001e-10 7.297783e-10 7.179198000000001e-10 7.072847e-10 6.976442e-10 6.888279e-10 6.80706e-10 6.73177e-10 6.661603000000001e-10 6.595904e-10 6.534140000000001e-10 6.475865e-10 6.420706e-10 6.368347e-10 6.318517e-10 6.270983e-10 6.225543e-10 6.18202e-10 6.152391e-10 6.121207000000001e-10 6.088297e-10 6.053457000000001e-10 6.016449e-10 5.976984e-10 5.934711000000001e-10 5.889202e-10 5.839918e-10 5.786177999999999e-10 5.727092e-10 5.661481000000001e-10 5.587722e-10 5.503499e-10 5.405345e-10 5.287722e-10 5.140943000000001e-10 4.94562e-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" [ 0.770186 1.15446 1.4922 1.80174 2.09107 2.36211 2.61779 2.85814 3.0839 3.29553 3.49351 3.67821 3.84914 4.00622 4.14993 4.28003 4.39577 4.49691 4.58321 4.65437 4.71009 4.75007 4.77469 4.78301 4.77882 4.76474 4.73793 4.69465 4.63014 4.53746 4.40709 4.22569 3.97399 3.62334 3.12979 2.42358 1.3871 -0.187437 -2.70047 -7.00683 -15.2142 -33.9054 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2339740028674689e-19 1.8496488216487682e-19 2.3907679535577603e-19 2.886705704760192e-19 3.3502634664562565e-19 3.784517417757888e-19 4.194161936164032e-19 4.579245086973313e-19 4.94095248088512e-19 5.280021119145024e-19 5.597220046531008e-19 5.893142068392768e-19 6.167002118186112e-19 6.418672021781376e-19 6.648920823956545e-19 6.857364002322624e-19 7.042799924414016e-19 7.204844067841728e-19 7.343111910216769e-19 7.457122798552896e-19 7.546396079863873e-19 7.610451101163457e-19 7.649896689567551e-19 7.663226799052608e-19 7.656513679011456e-19 7.633955032190592e-19 7.591000676986945e-19 7.521658472838721e-19 7.418302059030912e-19 7.269812329815168e-19 7.060936563761473e-19 6.770301724748352e-19 6.367033869292993e-19 5.805230637209472e-19 5.014476366013632e-19 3.883003214638464e-19 2.2223791907116803e-19 -3.003071792728896e-20 -4.3266298991717764e-19 -1.1226179211920065e-18 -2.437583554417536e-18 -5.432243919887233e-18 ] } }