{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Rn" "Rn" "Rn" "Rn" ] } "a" { "source-value" [ 6.18869 5.774024 5.517031 5.330312 5.183573 5.062677 4.959869 4.870436 4.791293 4.720317 4.655977 4.597138 4.542934 4.492686 4.445857 4.402011 4.36079 4.321899 4.285086 4.250142 4.216887 4.185163 4.154837 4.12579 4.096425 4.066164 4.034952 4.002725 3.969416 3.934949 3.899242 3.862202 3.823724 3.783694 3.741981 3.698436 3.652892 3.605155 3.555006 3.502185 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.18869e-10 5.774024e-10 5.517031e-10 5.330312e-10 5.183573e-10 5.062677e-10 4.959869e-10 4.870436e-10 4.791293e-10 4.720317e-10 4.655977e-10 4.5971380000000003e-10 4.542934e-10 4.492686e-10 4.4458570000000004e-10 4.4020110000000003e-10 4.36079e-10 4.3218990000000005e-10 4.2850859999999997e-10 4.2501420000000006e-10 4.216887e-10 4.1851630000000003e-10 4.154837e-10 4.1257900000000003e-10 4.096425e-10 4.066164e-10 4.0349519999999997e-10 4.002725e-10 3.969416e-10 3.934949e-10 3.8992420000000003e-10 3.862202e-10 3.823724e-10 3.783694e-10 3.741981e-10 3.698436e-10 3.6528920000000004e-10 3.605155e-10 3.5550060000000005e-10 3.502185e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0290621 0.0434246 0.0561341 0.0677651 0.0785712 0.0886805 0.0982095 0.107177 0.115601 0.123518 0.130922 0.137812 0.144194 0.150072 0.15543 0.16026 0.164557 0.168322 0.171534 0.174181 0.176254 0.177748 0.178669 0.178979 0.178629 0.17746 0.175255 0.17174 0.166567 0.159285 0.149319 0.135936 0.118116 0.0945412 0.0634471 0.0224218 -0.0318309 -0.103911 -0.200381 -0.330678 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.65626175549714e-21 6.95738794607964e-21 8.99367433906194e-21 1.0857165982067338e-20 1.2588494074534078e-20 1.42081824991437e-20 1.57348966136823e-20 1.7171648510221797e-20 1.8521322106703397e-20 1.97897653478412e-20 2.09760169276548e-20 2.2079916628480798e-20 2.3102425756299597e-20 2.40441851817648e-20 2.4902631422262e-20 2.5676482736484e-20 2.6364938036113798e-20 2.6968157538814798e-20 2.7482776673655595e-20 2.79068728286754e-20 2.82390040449036e-20 2.84783692340232e-20 2.86259297020146e-20 2.86755971776686e-20 2.86195209954786e-20 2.8432226546963996e-20 2.8078946599166995e-20 2.7515781512316e-20 2.6686975539547797e-20 2.5520270514669e-20 2.39235412812246e-20 2.1779348291942398e-20 1.89242695301544e-20 1.514717015903208e-20 1.016534611150614e-20 3.592368405222119e-21 -5.09987242191906e-21 -1.66483776215574e-20 -3.21045756097554e-20 -5.29804564977852e-20 ] } }