{ "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" [ 7.91322 7.383005 7.054399 6.815649 6.628021 6.473436 6.341981 6.227626 6.12643 6.035675 5.953407 5.878172 5.808863 5.744614 5.684736 5.628672 5.575965 5.526235 5.479165 5.434484 5.391961 5.351398 5.312621 5.27548 5.237932 5.199239 5.159328 5.118121 5.07553 5.031459 4.985802 4.93844 4.88924 4.838055 4.784718 4.729038 4.670803 4.609764 4.545639 4.478099 4.40676 4.331169 4.250785 4.164961 4.072906 3.973645 3.865951 3.748259 3.61852 3.473983 3.310834 3.12356 2.903767 2.63774 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.91322e-10 7.383005e-10 7.054399000000001e-10 6.815649e-10 6.628021000000001e-10 6.473436000000001e-10 6.341981e-10 6.227626e-10 6.12643e-10 6.035675e-10 5.953407e-10 5.878172000000001e-10 5.808863e-10 5.744614e-10 5.684736e-10 5.628672e-10 5.575965e-10 5.526235e-10 5.479165e-10 5.434484e-10 5.391961000000001e-10 5.351398e-10 5.312621e-10 5.27548e-10 5.237932e-10 5.199239000000001e-10 5.159328000000001e-10 5.118121000000001e-10 5.07553e-10 5.031459e-10 4.985802e-10 4.938440000000001e-10 4.88924e-10 4.838055e-10 4.784718e-10 4.729038000000001e-10 4.670803e-10 4.6097640000000004e-10 4.545639000000001e-10 4.4780990000000005e-10 4.4067600000000004e-10 4.3311690000000005e-10 4.250785e-10 4.164961e-10 4.072906e-10 3.973645e-10 3.8659510000000003e-10 3.748259e-10 3.61852e-10 3.4739830000000004e-10 3.310834e-10 3.12356e-10 2.903767e-10 2.63774e-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" [ 0.879363 1.22748 1.48031 1.67456 1.82561 1.9449 2.04028 2.11712 2.17312 2.20636 2.22881 2.249 2.27014 2.29131 2.31163 2.33053 2.34767 2.36282 2.37587 2.38676 2.39548 2.40207 2.40655 2.40826 2.40606 2.39877 2.38683 2.37118 2.35301 2.33377 2.31491 2.2966 2.27856 2.26044 2.24174 2.22182 2.19983 2.17466 2.14489 2.10944 2.06773 2.0143 1.93823 1.83861 1.71376 1.54221 1.27694 0.922078 0.438097 -0.364969 -2.59991 -9.38886 -29.495 -93.4203 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.408894851404142e-19 1.9666397747023198e-19 2.37171809307654e-19 2.6829409042310397e-19 2.9249496847967395e-19 3.1160733354666e-19 3.26888894281752e-19 3.3920001953740796e-19 3.4817220868780797e-19 3.5349784381922397e-19 3.57094730362554e-19 3.603295249866e-19 3.6371652639087596e-19 3.6710833432505403e-19 3.70363957245342e-19 3.7339207108360196e-19 3.76138201834278e-19 3.78565499434788e-19 3.8065633994215797e-19 3.82401110296584e-19 3.83798208321432e-19 3.84854042723238e-19 3.8557181785527e-19 3.8584579005968393e-19 3.8549331120020397e-19 3.8432532443401793e-19 3.8241232553302196e-19 3.7990491910081196e-19 3.7699376415683393e-19 3.7391117631301797e-19 3.7088947118129394e-19 3.6795588576444e-19 3.65065559116704e-19 3.6216241505589597e-19 3.5916634475031597e-19 3.55974808895388e-19 3.52451622477222e-19 3.4841894388944396e-19 3.43649264050026e-19 3.37969547882496e-19 3.3128686914208197e-19 3.2272643938661995e-19 3.10538681731782e-19 2.94577798103874e-19 2.7457462282838397e-19 2.47089282672114e-19 2.04588343101996e-19 1.4773318263254517e-19 7.01908776825498e-20 -5.847448039343459e-20 -4.1655150525029394e-19 -1.5042612111897238e-18 -4.725619981983e-18 -1.496758218012702e-17 ] } }