{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 6.05656 5.650749 5.399243 5.216511 5.072906 4.954591 4.853979 4.766455 4.689003 4.619541 4.556575 4.498993 4.445946 4.396772 4.350943 4.308033 4.267692 4.229631 4.193605 4.159407 4.126861 4.095815 4.066137 4.03771 4.018358 3.997991 3.976496 3.953741 3.929569 3.903793 3.876183 3.846459 3.81427 3.77917 3.740579 3.697726 3.649551 3.594542 3.530434 3.45361 3.357743 3.23017 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.05656e-10 5.650749e-10 5.399243000000001e-10 5.216511e-10 5.072906e-10 4.954591e-10 4.853979e-10 4.766455e-10 4.689003e-10 4.619541e-10 4.556575e-10 4.4989929999999995e-10 4.4459460000000003e-10 4.3967720000000006e-10 4.350943e-10 4.308033e-10 4.267692e-10 4.2296310000000006e-10 4.193605e-10 4.159407e-10 4.126861e-10 4.095815e-10 4.0661370000000005e-10 4.03771e-10 4.0183580000000004e-10 3.997991e-10 3.976496e-10 3.953741e-10 3.929569e-10 3.903793e-10 3.8761830000000003e-10 3.846459e-10 3.81427e-10 3.7791700000000005e-10 3.740579e-10 3.697726e-10 3.6495510000000004e-10 3.5945420000000003e-10 3.530434e-10 3.45361e-10 3.3577430000000005e-10 3.23017e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0.00114397 1.41125 2.35367 2.73393 3.08639 3.41223 3.64247 3.76282 3.80027 3.78544 3.74692 3.70854 3.68853 3.69965 3.74934 3.80892 3.85917 3.90059 3.93365 3.95876 3.97629 3.98658 3.98994 3.98831 3.98291 3.97312 3.9581 3.93666 3.90718 3.86749 3.81454 3.74396 3.64923 3.52045 3.34208 3.09354 2.74279 2.23081 1.44605 -0.00375801 -3.21291 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.8328419888965762e-22 2.261071756104e-19 3.7709950470783363e-19 4.380238728903745e-19 4.944941900670913e-19 5.466995130792384e-19 5.835880275965376e-19 6.028702232278656e-19 6.088703746727616e-19 6.064943467441152e-19 6.003227624007936e-19 5.941736085301632e-19 5.909676531119424e-19 5.92749273514272e-19 6.007104891430272e-19 6.102562574497537e-19 6.183071949692737e-19 6.249434105326272e-19 6.302402064409921e-19 6.342632719358208e-19 6.370718875520833e-19 6.387205272948864e-19 6.392588586394752e-19 6.389977038502848e-19 6.381325284750528e-19 6.365639975632896e-19 6.34157528278848e-19 6.307224616038528e-19 6.259992449257344e-19 6.196402059177793e-19 6.111566807106432e-19 5.998485181210368e-19 5.846710989921985e-19 5.64038268469536e-19 5.354602440843265e-19 4.956397463509632e-19 4.394434013764032e-19 3.574151627446848e-19 2.3168275025078404e-19 -6.020995762732609e-22 -5.147649286734528e-19 ] } }