{ "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" [ 2.1314877285745798e-19 2.5805618173184397e-19 2.8522589309121596e-19 3.0391047699692396e-19 3.1821791433854397e-19 3.3003396701429397e-19 3.40202982110292e-19 3.49120697255136e-19 3.6050736659297393e-19 3.68737747961832e-19 3.7560627919179e-19 3.8163206551226397e-19 3.8690322663812396e-19 3.91490258341266e-19 3.9545724768704996e-19 3.9885706650439794e-19 4.0173617791569596e-19 4.0413623851342795e-19 4.0609089400690794e-19 4.07635392282084e-19 4.0879536816509995e-19 4.095964564821e-19 4.10062689882594e-19 4.10214896662824e-19 4.1014119653765993e-19 4.0990407439582795e-19 4.09463475821478e-19 4.08777744222126e-19 4.0778599688567995e-19 4.0641613586360997e-19 4.0457042838124194e-19 4.0212230248448997e-19 3.98892314390346e-19 3.9464334195697793e-19 3.8903091720807597e-19 3.81553558857198e-19 3.7144863082655997e-19 3.5749207016778597e-19 3.37535358014682e-19 3.0738559811607e-19 2.57514646029552e-19 1.6072875774624599e-19 ] } }