{ "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" [ 8.14332 7.597687 7.259526 7.013834 6.82075 6.66167 6.526392 6.408712 6.304574 6.21118 6.126519 6.049097 5.977773 5.911655 5.850036 5.792342 5.738102 5.686927 5.638488 5.592508 5.548748 5.507005 5.467101 5.42888 5.40286 5.375475 5.346574 5.315979 5.283479 5.248822 5.211699 5.171733 5.128454 5.08126 5.029372 4.971754 4.90698 4.833017 4.746821 4.643526 4.514628 4.3431 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.143319999999999e-10 7.597687e-10 7.259526000000001e-10 7.013834000000001e-10 6.82075e-10 6.661670000000001e-10 6.526392000000001e-10 6.408712000000001e-10 6.304574e-10 6.21118e-10 6.126519e-10 6.049097e-10 5.977773e-10 5.911654999999999e-10 5.850036000000001e-10 5.792342e-10 5.738102e-10 5.686927e-10 5.638488e-10 5.592508e-10 5.548748e-10 5.507005e-10 5.467101000000001e-10 5.428880000000001e-10 5.402860000000001e-10 5.375475e-10 5.346574000000001e-10 5.315979e-10 5.283479e-10 5.248822e-10 5.211699e-10 5.171733e-10 5.128454e-10 5.08126e-10 5.029372000000001e-10 4.971754e-10 4.906980000000001e-10 4.833017e-10 4.746821e-10 4.6435259999999995e-10 4.514628e-10 4.3430999999999997e-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 0 0 0 0.00492814 0.646109 1.78623 2.82564 3.53844 3.89937 4.02664 4.13059 4.22163 4.30103 4.36984 4.42898 4.47921 4.5212 4.55553 4.58271 4.60321 4.61743 4.62572 4.62841 4.62711 4.62284 4.61492 4.60252 4.58457 4.55967 4.52598 4.48105 4.42155 4.34281 4.23816 4.09774 3.9064 3.63975 3.25592 2.67701 1.74026 0.0408808 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 7.895750692029313e-22 1.0351807342884673e-19 2.861855945371584e-19 4.527174346797312e-19 5.669205842103552e-19 6.247479449848896e-19 6.451388468378113e-19 6.617934728110272e-19 6.7637968876679045e-19 6.891009711359425e-19 7.001255484636672e-19 7.096008209990784e-19 7.176485541653569e-19 7.243760937960961e-19 7.298763661353024e-19 7.342310821906367e-19 7.3751554426327685e-19 7.397938394180544e-19 7.411220438366976e-19 7.415530293476928e-19 7.413447463869888e-19 7.406606169699072e-19 7.393916930862336e-19 7.374049940764417e-19 7.345290870421057e-19 7.305396672563136e-19 7.251419342208384e-19 7.17943354663584e-19 7.08410403769824e-19 6.957948650576448e-19 6.790280867209728e-19 6.565303226116993e-19 6.258742751493121e-19 5.8315223555568e-19 5.216558903195137e-19 4.2890428356478085e-19 2.788203886113408e-19 6.5498261999600644e-21 ] } }