{ "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" [ "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" [ 8.63331 8.054846 7.696338 7.435862 7.23116 7.062508 6.919091 6.79433 6.683925 6.584912 6.495157 6.413076 6.33746 6.267364 6.202037 6.140872 6.083368 6.029114 5.97776 5.929013 5.882621 5.838366 5.796061 5.75554 5.727954 5.698922 5.668282 5.635846 5.601391 5.564648 5.525291 5.482921 5.437037 5.387004 5.331995 5.270909 5.202238 5.123825 5.032442 4.922933 4.786279 4.60443 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.63331e-10 8.054846e-10 7.696338e-10 7.435862e-10 7.23116e-10 7.062508000000001e-10 6.919091e-10 6.79433e-10 6.683925000000001e-10 6.584912e-10 6.495157e-10 6.413076000000001e-10 6.337460000000001e-10 6.267364e-10 6.202037e-10 6.140872e-10 6.083368e-10 6.029114e-10 5.97776e-10 5.929013000000001e-10 5.882621e-10 5.838366e-10 5.796061e-10 5.75554e-10 5.727954000000001e-10 5.698922e-10 5.668281999999999e-10 5.635846e-10 5.601391e-10 5.564648e-10 5.525291000000001e-10 5.482921e-10 5.437037e-10 5.387004e-10 5.331995e-10 5.270909e-10 5.202238000000001e-10 5.123825e-10 5.032442e-10 4.922933e-10 4.786279000000001e-10 4.60443e-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" [ 1.20723 1.67673 2.03813 2.34095 2.60363 2.83623 3.04503 3.23427 3.40698 3.56542 3.71134 3.84613 3.9709 4.08658 4.19395 4.29366 4.38628 4.4723 4.55214 4.62619 4.69477 4.75818 4.8167 4.86543 4.8042 4.62627 4.35982 4.04744 3.72999 3.43672 3.18349 2.97543 2.81033 2.68143 2.57929 2.49379 2.40387 2.26974 2.06292 1.72971 0.754555 -1.18565 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.934195681928384e-19 2.686417605393984e-19 3.2654442361511046e-19 3.75061536046176e-19 4.171475115213504e-19 4.544141397211584e-19 4.878675875634624e-19 5.181871779354816e-19 5.458583703533184e-19 5.712432567332736e-19 5.946222179839873e-19 6.162179566557504e-19 6.36208314353472e-19 6.547422935028864e-19 6.71944863880416e-19 6.879201669664128e-19 7.027595268282624e-19 7.16541450120384e-19 7.293332282608512e-19 7.411973461378753e-19 7.521850734033217e-19 7.623444753558145e-19 7.71720412940736e-19 7.795278196138945e-19 7.6971769216473605e-19 7.412101635508417e-19 6.985201674896257e-19 6.484713742090752e-19 5.976102773817792e-19 5.506232436235777e-19 5.100513250550592e-19 4.767164382826944e-19 4.502645022732865e-19 4.2961244563117444e-19 4.132478136263232e-19 3.9954920351848324e-19 3.851424313442496e-19 3.636524363294592e-19 3.3051621945807365e-19 2.7713009227639685e-19 1.2089303801077441e-19 -1.8996207104515203e-19 ] } }