{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14583 7.600029 7.261763 7.015995 6.822851 6.663722 6.528402 6.410686 6.306515 6.213092 6.128405 6.050959 5.979613 5.913475 5.851837 5.794124 5.739868 5.688677 5.640223 5.594228 5.550455 5.508699 5.468783 5.43055 5.404522 5.377129 5.348219 5.317615 5.285105 5.250437 5.213303 5.173325 5.130032 5.082824 5.030921 4.973285 4.908491 4.834506 4.748284 4.644958 4.51602 4.34444 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.14583e-10 7.600029000000001e-10 7.261763e-10 7.015995000000001e-10 6.822851e-10 6.663722e-10 6.528402000000001e-10 6.410686e-10 6.306515000000001e-10 6.213092e-10 6.128405e-10 6.050959e-10 5.979613e-10 5.913475000000001e-10 5.851837e-10 5.794124e-10 5.739868e-10 5.688677e-10 5.640223e-10 5.594228000000001e-10 5.550455000000001e-10 5.508699000000001e-10 5.468783000000001e-10 5.43055e-10 5.404522e-10 5.377129e-10 5.348219e-10 5.317615e-10 5.285105e-10 5.250437e-10 5.213303e-10 5.173325000000001e-10 5.130032e-10 5.082824e-10 5.030921e-10 4.973285e-10 4.908491e-10 4.834506e-10 4.748284e-10 4.644958e-10 4.5160200000000004e-10 4.34444e-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" [ 0.0406479 0.618619 1.39928 2.05746 2.55913 2.93722 3.22642 3.45313 3.6369 3.79379 3.92976 4.04797 4.15088 4.24035 4.31786 4.38443 4.44084 4.48783 4.5261 4.55627 4.57893 4.59463 4.6038 4.6068 4.60561 4.60205 4.59589 4.58687 4.57472 4.55915 4.53989 4.51663 4.4891 4.45711 4.42061 4.37973 4.31958 4.16004 3.81194 3.21651 2.3501 -1.62167 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.51251156011686e-21 9.91136907148446e-20 2.24189372042352e-19 3.2964143373896394e-19 4.10017828936842e-19 4.70594525291748e-19 5.1692947354702795e-19 5.532524200164419e-19 5.826956200194599e-19 6.07832169230286e-19 6.29616964922784e-19 6.48556294913298e-19 6.650442946537919e-19 6.7937896899819e-19 6.917974400883239e-19 7.02463129940862e-19 7.115010083332559e-19 7.190296363364219e-19 7.251611663147399e-19 7.299949332195179e-19 7.336254654721619e-19 7.36140882787542e-19 7.376100787609199e-19 7.380907317511199e-19 7.3790007273167405e-19 7.3732969784997e-19 7.363427570434259e-19 7.34897593719558e-19 7.32950949109248e-19 7.304563600901099e-19 7.273705678930259e-19 7.23643905042342e-19 7.192331127689399e-19 7.14107749716774e-19 7.082598050026739e-19 7.017101069228821e-19 6.92073014469372e-19 6.66511888450536e-19 6.10740119820996e-19 5.15341716502734e-19 3.7652753075633993e-19 -2.5982017820587797e-19 ] } }