{ "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" [ 8.145 7.599255 7.261024 7.015281 6.822157 6.663044 6.527739 6.410034 6.305875 6.212461 6.127783 6.050345 5.979006 5.912875 5.851243 5.793537 5.739286 5.6881 5.639651 5.593661 5.549893 5.508141 5.468229 5.43 5.403975 5.376584 5.347677 5.317076 5.28457 5.249905 5.212775 5.172801 5.129513 5.082309 5.030411 4.972782 4.907994 4.834017 4.747803 4.644487 4.515563 4.344 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.145e-10 7.599255000000001e-10 7.261024e-10 7.015281e-10 6.822157e-10 6.663044e-10 6.527739e-10 6.410034e-10 6.305875e-10 6.212461e-10 6.127783e-10 6.050345e-10 5.979006000000001e-10 5.912875e-10 5.851243000000001e-10 5.793537e-10 5.739286e-10 5.6881e-10 5.639651e-10 5.593661e-10 5.549893e-10 5.508141e-10 5.468229e-10 5.43e-10 5.403975e-10 5.376584000000001e-10 5.347677e-10 5.317076000000001e-10 5.28457e-10 5.249905e-10 5.212775e-10 5.172801e-10 5.129513000000001e-10 5.082309000000001e-10 5.030411e-10 4.972782e-10 4.907994e-10 4.834017e-10 4.747803000000001e-10 4.644487e-10 4.5155630000000005e-10 4.3440000000000007e-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" [ 1.85634 2.36171 2.71923 2.99929 3.22995 3.42552 3.59438 3.74193 3.87181 3.98666 4.08843 4.1786 4.25835 4.32862 4.39017 4.44362 4.48952 4.5283 4.56036 4.58602 4.60557 4.61927 4.62735 4.63 4.62871 4.62449 4.61667 4.60446 4.5868 4.56234 4.52931 4.48536 4.42728 4.35061 4.249 4.11309 3.92857 3.67251 3.30578 2.75608 1.87365 0.290094 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.97418457275956e-19 3.78387657828414e-19 4.35668676847182e-19 4.80539235658986e-19 5.1749504189883e-19 5.48828810329968e-19 5.7588316497169195e-19 5.99523281206362e-19 6.203323513287539e-19 6.38733349970244e-19 6.550387015744619e-19 6.6948552828324e-19 6.8226288693939e-19 6.93521382146508e-19 7.03382779328778e-19 7.119464134375079e-19 7.193004041875679e-19 7.255136451742199e-19 7.30650223462824e-19 7.34761408705668e-19 7.37893664025138e-19 7.40088646013718e-19 7.4138320473399e-19 7.418077815419999e-19 7.41601100756214e-19 7.409249822166659e-19 7.39672080088878e-19 7.37715822418764e-19 7.348863784831199e-19 7.309674544363559e-19 7.2567546501425395e-19 7.18633898707824e-19 7.093284568175519e-19 6.970445685646739e-19 6.807648517865999e-19 6.589896691539059e-19 6.294263059033379e-19 5.884009710131339e-19 5.296443473144519e-19 4.41572697743472e-19 3.0019182502940996e-19 4.64781828463596e-20 ] } }