{ "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" [ "Rn" "Rn" "Rn" "Rn" "Rn" "Rn" "Rn" "Rn" ] } "a" { "source-value" [ 10.0069 9.336397 8.920847 8.618927 8.381655 8.186169 8.019932 7.875321 7.74735 7.632582 7.528547 7.433406 7.345759 7.26451 7.188789 7.117891 7.051239 6.988352 6.928827 6.872324 6.818551 6.767254 6.718218 6.67125 6.623768 6.574837 6.524367 6.472257 6.418398 6.362666 6.304929 6.245036 6.182819 6.118092 6.050642 5.980232 5.906588 5.8294 5.748309 5.6629 5.572685 5.477094 5.375443 5.266912 5.150501 5.024977 4.88879 4.739958 4.575893 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.00069e-09 9.336397e-10 8.920847e-10 8.618926999999999e-10 8.381655e-10 8.186169e-10 8.019932000000001e-10 7.875321e-10 7.74735e-10 7.632582000000001e-10 7.528547e-10 7.433406e-10 7.345759e-10 7.26451e-10 7.188789e-10 7.117891e-10 7.051239e-10 6.988352000000001e-10 6.928827e-10 6.872324000000001e-10 6.818551000000001e-10 6.767254000000001e-10 6.718218e-10 6.67125e-10 6.623768000000001e-10 6.574837e-10 6.524367e-10 6.472257e-10 6.418398e-10 6.362666e-10 6.304929e-10 6.245036e-10 6.182819e-10 6.118092e-10 6.050642e-10 5.980232000000001e-10 5.906588e-10 5.8294e-10 5.748309e-10 5.6629e-10 5.572685e-10 5.477094000000001e-10 5.375443e-10 5.266911999999999e-10 5.150501e-10 5.024977e-10 4.888790000000001e-10 4.739958e-10 4.575893e-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" [ 0.0107564 0.0161232 0.02084 0.0251631 0.029204 0.0329893 0.0365602 0.0399169 0.04307 0.0460257 0.0487906 0.0513703 0.0537575 0.0559514 0.0579584 0.0597754 0.0613918 0.0628045 0.0640097 0.0650035 0.0657818 0.0663402 0.066684 0.0668002 0.0666692 0.0662309 0.0654046 0.0640934 0.0621613 0.0594401 0.0557123 0.0506947 0.0440144 0.0351815 0.0235288 0.00815633 -0.0121604 -0.039166 -0.0753139 -0.124118 -0.190802 -0.28321 -0.413551 -0.601238 -0.878318 -1.29989 -1.96523 -3.06404 -4.98459 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7233652745957598e-21 2.58322143053088e-21 3.3389361052559998e-21 4.03157308590054e-21 4.6789966419336e-21 5.28546856320162e-21 5.85758981743668e-21 6.395392448171459e-21 6.900574762638e-21 7.37413011034938e-21 7.81711592788404e-21 8.23042943415702e-21 8.6129010402255e-21 8.964402571958759e-21 9.28595942240256e-21 9.57707491680036e-21 9.83605074792012e-21 1.0062390241005299e-20 1.025548456893498e-20 1.04147088828219e-20 1.0539406290246119e-20 1.062887183348868e-20 1.0683954666165598e-20 1.070257195865268e-20 1.068158344474728e-20 1.0611360042879059e-20 1.0478972187611639e-20 1.0268894787361558e-20 9.95933823990642e-21 9.52335393426234e-21 8.926094528639819e-21 8.12218638076398e-21 7.05188432395296e-21 5.6366977249070995e-21 3.76972935860592e-21 1.3067881345193219e-21 -1.9483108740093597e-21 -6.2750850047243996e-21 -1.206661707954126e-20 -1.98858959458812e-20 -3.05698506120468e-20 -4.5375244451514e-20 -6.62581749167334e-20 -9.632894750728921e-20 -1.407220576821612e-19 -2.08265338477026e-19 -3.14864558643582e-19 -4.909133293641359e-19 -7.986193628070059e-19 ] } }