{ "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" [ 8.13818 7.592891 7.254943 7.009406 6.816443 6.657464 6.522271 6.404665 6.300592 6.207257 6.12265 6.045276 5.973997 5.907921 5.846341 5.788683 5.734477 5.683334 5.634926 5.588974 5.545243 5.503526 5.463647 5.42545 5.399447 5.372079 5.343196 5.312621 5.280142 5.245506 5.208407 5.168467 5.125215 5.078051 5.026196 4.968615 4.903882 4.829966 4.743824 4.640595 4.511779 4.34036 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.138180000000001e-10 7.592891e-10 7.254943e-10 7.009406e-10 6.816443e-10 6.657464e-10 6.522271e-10 6.404665e-10 6.300592e-10 6.207257000000001e-10 6.122650000000001e-10 6.045276e-10 5.973997e-10 5.907921e-10 5.846341e-10 5.788683e-10 5.734477e-10 5.683334000000001e-10 5.634926e-10 5.588974e-10 5.545243e-10 5.503526e-10 5.463647e-10 5.42545e-10 5.399447e-10 5.372079e-10 5.343196e-10 5.312621e-10 5.280142e-10 5.245506e-10 5.208407e-10 5.168467e-10 5.125215e-10 5.078051e-10 5.026195999999999e-10 4.968615e-10 4.903882e-10 4.829966e-10 4.743824e-10 4.6405950000000005e-10 4.511779e-10 4.3403600000000005e-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 0.0829939 1.01532 2.05896 2.75219 3.18297 3.48337 3.72248 3.92619 4.1002 4.24253 4.35365 4.4397 4.50575 4.55567 4.5924 4.61827 4.63511 4.64436 4.64722 4.64592 4.6418 4.63445 4.62341 4.60809 4.58777 4.56159 4.52839 4.48673 4.43471 4.36974 4.28827 4.18519 4.05287 3.87925 3.64383 3.30807 2.7874 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 1.3297088624901312e-20 1.6267219666306561e-19 3.298817575162368e-19 4.409494473999553e-19 5.099680118707777e-19 5.580973975596096e-19 5.964070427395584e-19 6.290449826818753e-19 6.569244580604161e-19 6.797282379042625e-19 6.97531624514592e-19 7.113183543365761e-19 7.2190073091696e-19 7.298987966079936e-19 7.35783591336192e-19 7.399284222542016e-19 7.426264876836289e-19 7.441085010578688e-19 7.445667235714176e-19 7.443584406107136e-19 7.436983438429441e-19 7.42520744026656e-19 7.407519410372928e-19 7.382974064542272e-19 7.350417835607617e-19 7.308472851675072e-19 7.255280587864512e-19 7.188533909841984e-19 7.105188682027968e-19 7.001095266974593e-19 6.870565937678016e-19 6.705413571605953e-19 6.493413561141697e-19 6.2152436562384e-19 5.838059236169665e-19 5.300112413969856e-19 4.46590711281792e-19 ] } }