{ "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" [ 7.72089 7.203562 6.882943 6.649995 6.466927 6.3161 6.18784 6.076264 5.977528 5.888979 5.80871 5.735304 5.667679 5.604992 5.546569 5.491867 5.440441 5.391921 5.345995 5.302399 5.26091 5.221333 5.183498 5.14726 5.12259 5.096626 5.069224 5.040216 5.009403 4.976543 4.941346 4.903454 4.86242 4.817674 4.768479 4.71385 4.652436 4.582311 4.500586 4.40265 4.280439 4.11781 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.72089e-10 7.203562e-10 6.882943e-10 6.649995e-10 6.466927e-10 6.3161e-10 6.187839999999999e-10 6.076264e-10 5.977528000000001e-10 5.888979000000001e-10 5.80871e-10 5.735304e-10 5.667679e-10 5.604992e-10 5.546569e-10 5.491867e-10 5.440441e-10 5.391921e-10 5.345995e-10 5.302399000000001e-10 5.26091e-10 5.221333e-10 5.183498e-10 5.14726e-10 5.12259e-10 5.096626e-10 5.069224000000001e-10 5.040216e-10 5.009403e-10 4.976543000000001e-10 4.941346e-10 4.903454e-10 4.862420000000001e-10 4.817674000000001e-10 4.768479e-10 4.71385e-10 4.652436e-10 4.582311e-10 4.500586e-10 4.4026500000000003e-10 4.2804390000000006e-10 4.1178100000000006e-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" [ 1.33037 1.61066 1.78024 1.89686 1.98616 2.05991 2.12338 2.17904 2.25011 2.30148 2.34435 2.38196 2.41486 2.44349 2.46825 2.48947 2.50744 2.52242 2.53462 2.54426 2.5515 2.5565 2.55941 2.56036 2.5599 2.55842 2.55567 2.55139 2.5452 2.53665 2.52513 2.50985 2.48969 2.46317 2.42814 2.38147 2.3184 2.23129 2.10673 1.91855 1.60728 1.00319 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.1314877110136961e-19 2.5805617960577283e-19 2.8522589074129924e-19 3.039104744930688e-19 3.182179117168128e-19 3.300339642952128e-19 3.4020297930743043e-19 3.4912069437880325e-19 3.605073636228288e-19 3.6873774492387847e-19 3.75606276097248e-19 3.816320623680768e-19 3.8690322345050884e-19 3.9149025511585926e-19 3.9545724442896e-19 3.988570632182976e-19 4.017361746058752e-19 4.041362351838336e-19 4.060908906612096e-19 4.076353889236608e-19 4.0879536479712e-19 4.0959645310752006e-19 4.1006268650417284e-19 4.1021489328314883e-19 4.10141193158592e-19 4.099040710187136e-19 4.0946347244799363e-19 4.0877774085429124e-19 4.07785993526016e-19 4.06416132515232e-19 4.045704250480704e-19 4.0212229917148805e-19 3.988923111039552e-19 3.946433387055936e-19 3.8903091400293123e-19 3.8155355571365766e-19 3.71448627766272e-19 3.574920672224832e-19 3.3753535523379844e-19 3.07385595583584e-19 2.5751464390794243e-19 1.6072875642203522e-19 ] } }