{ "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" [ "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" ] } "a" { "source-value" [ 8.28397 7.728914 7.384913 7.134977 6.938558 6.776731 6.639117 6.519405 6.413468 6.318461 6.232338 6.153579 6.081023 6.013763 5.95108 5.892389 5.837213 5.785153 5.735878 5.689103 5.644588 5.602124 5.561531 5.52265 5.496181 5.468323 5.438923 5.407799 5.374738 5.339482 5.301718 5.261063 5.217036 5.169027 5.116243 5.05763 4.991738 4.916498 4.828813 4.723734 4.59261 4.41812 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.28397e-10 7.728914e-10 7.384913e-10 7.134977000000001e-10 6.938558e-10 6.776731000000001e-10 6.639117e-10 6.519405e-10 6.413468e-10 6.318461e-10 6.232338000000001e-10 6.153579e-10 6.081023e-10 6.013763e-10 5.95108e-10 5.892389e-10 5.837213e-10 5.785153e-10 5.735878e-10 5.689103e-10 5.644588e-10 5.602124e-10 5.561530999999999e-10 5.52265e-10 5.496181e-10 5.468323e-10 5.438923e-10 5.407799e-10 5.374738e-10 5.339482e-10 5.301718e-10 5.261063e-10 5.217036000000001e-10 5.169027e-10 5.116243e-10 5.057629999999999e-10 4.991738e-10 4.916498e-10 4.828813e-10 4.723734e-10 4.59261e-10 4.41812e-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" [ 2.49848 3.10174 3.402 3.60954 3.78392 3.92531 4.03365 4.12574 4.22096 4.32717 4.44493 4.57082 4.69931 4.82649 4.94918 5.06534 5.17387 5.27353 5.36151 5.43501 5.49231 5.5331 5.55744 5.5655 5.56153 5.54836 5.52368 5.48461 5.42729 5.34661 5.23576 5.08547 4.88301 4.61008 4.23987 3.73265 3.02828 2.03041 0.575818 -1.61691 -5.07693 -8.49536 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.0030062765163193e-19 4.96953535274316e-19 5.450604908868e-19 5.78312064748836e-19 6.06250820892528e-19 6.28903996320654e-19 6.4626197797341e-19 6.610164225959161e-19 6.762723485048639e-19 6.932890665345779e-19 7.12156298576562e-19 7.32326100221988e-19 7.529124677922539e-19 7.732889502234659e-19 7.92946055346012e-19 8.115569391265559e-19 8.289453621353579e-19 8.44912654469802e-19 8.590086044957339e-19 8.70784602755634e-19 8.79965074868454e-19 8.8650035335854e-19 8.904000512856959e-19 8.916914056527e-19 8.91055341529002e-19 8.889452749020238e-19 8.849911029693118e-19 8.78731398860274e-19 8.69547722394186e-19 8.56621361311074e-19 8.388612333231839e-19 8.14782120690798e-19 7.823444525588339e-19 7.386162456870719e-19 6.7930206451975795e-19 5.9803646129001e-19 4.85183945720952e-19 3.2530754594399397e-19 9.22562145036612e-20 -2.59057542128094e-19 -8.134138618453619e-19 -1.3611067289418238e-18 ] } }