{ "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 8.8759 8.281183 7.9126 7.644806 7.434352 7.260961 7.113514 6.985248 6.871741 6.769945 6.677669 6.593282 6.515541 6.443476 6.376313 6.313429 6.25431 6.198531 6.145734 6.095617 6.047922 6.002423 5.958929 5.91727 5.888909 5.859061 5.82756 5.794213 5.75879 5.721015 5.680553 5.636992 5.589819 5.53838 5.481825 5.419024 5.348423 5.267807 5.173857 5.061271 4.920778 4.73382 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.8759e-10 8.281183000000001e-10 7.9126e-10 7.644806e-10 7.434352e-10 7.260961e-10 7.113514000000001e-10 6.985248000000001e-10 6.871741000000001e-10 6.769945e-10 6.677669e-10 6.593282000000001e-10 6.515541000000001e-10 6.443476000000001e-10 6.376313e-10 6.313429e-10 6.254310000000001e-10 6.198531e-10 6.145734e-10 6.095617e-10 6.047922e-10 6.002423000000001e-10 5.958929000000001e-10 5.917270000000001e-10 5.888909e-10 5.859061e-10 5.82756e-10 5.794213000000001e-10 5.758790000000001e-10 5.721015000000001e-10 5.680553e-10 5.636992000000001e-10 5.589819000000001e-10 5.53838e-10 5.481825e-10 5.419024e-10 5.348423000000001e-10 5.267807e-10 5.173857e-10 5.061271e-10 4.920778e-10 4.73382e-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" [ 0.876108 2.01553 2.672 3.11217 3.44666 3.7205 3.95345 4.15502 4.33053 4.48352 4.61661 4.73196 4.83137 4.91644 4.98857 5.04903 5.09899 5.13949 5.17153 5.19602 5.21381 5.22566 5.23231 5.23439 5.23343 5.23038 5.2249 5.21661 5.20503 5.18954 5.16932 5.14326 5.10983 5.0669 5.01096 4.93276 4.81396 4.62099 4.29471 3.73278 2.72526 0.7474 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4036797548958464e-19 3.229235044521024e-19 4.2810159307776003e-19 4.986246013955136e-19 5.522158071846528e-19 5.960898117686401e-19 6.334125161501761e-19 6.657075902956417e-19 6.938273921673025e-19 7.183390922889217e-19 7.396624609351487e-19 7.5814356825607685e-19 7.740708060434496e-19 7.877005225565952e-19 7.992570225224257e-19 8.089437823717825e-19 8.169482567692992e-19 8.234370720835393e-19 8.285704459765824e-19 8.324941765209216e-19 8.353444487293248e-19 8.372430280249729e-19 8.383084754778048e-19 8.386417282149313e-19 8.384879192593345e-19 8.379992553899905e-19 8.37121262601792e-19 8.357930581831489e-19 8.339377376562624e-19 8.314559660706432e-19 8.282163649433856e-19 8.240410926695808e-19 8.186850162262464e-19 8.118068719931521e-19 8.028442959763968e-19 7.903152748017408e-19 7.712814165466368e-19 7.403642142950592e-19 6.880883955115969e-19 5.980572846589824e-19 4.366347857601408e-19 1.19746680638592e-19 ] } }