{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ni" "Ni" ] } "a" { "source-value" [ 4.19191 3.911037 3.736963 3.61049 3.511097 3.429208 3.359572 3.298994 3.245387 3.197311 3.153731 3.113876 3.077161 3.043126 3.011407 2.981708 2.953787 2.927444 2.902509 2.87884 2.856314 2.834826 2.814285 2.79461 2.77472 2.754223 2.733081 2.711252 2.68869 2.665344 2.641158 2.616068 2.590006 2.562891 2.534637 2.505141 2.474292 2.441958 2.407989 2.372211 2.33442 2.294376 2.251795 2.206331 2.157566 2.104984 2.047935 1.985589 1.916862 1.840296 1.753871 1.654665 1.538234 1.39731 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.1919100000000004e-10 3.911037e-10 3.7369629999999997e-10 3.61049e-10 3.511097e-10 3.4292080000000004e-10 3.3595720000000003e-10 3.2989940000000003e-10 3.245387e-10 3.1973110000000003e-10 3.153731e-10 3.113876e-10 3.077161e-10 3.043126e-10 3.011407e-10 2.981708e-10 2.953787e-10 2.927444e-10 2.902509e-10 2.87884e-10 2.856314e-10 2.8348260000000004e-10 2.814285e-10 2.79461e-10 2.77472e-10 2.7542230000000003e-10 2.7330809999999997e-10 2.711252e-10 2.68869e-10 2.665344e-10 2.641158e-10 2.616068e-10 2.5900059999999997e-10 2.562891e-10 2.534637e-10 2.505141e-10 2.4742920000000005e-10 2.441958e-10 2.4079890000000005e-10 2.372211e-10 2.3344200000000004e-10 2.2943760000000002e-10 2.2517950000000001e-10 2.2063310000000002e-10 2.1575660000000001e-10 2.104984e-10 2.047935e-10 1.9855890000000002e-10 1.9168620000000002e-10 1.840296e-10 1.753871e-10 1.6546650000000002e-10 1.5382340000000002e-10 1.39731e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ -0.0250243 0.113248 0.268149 0.466637 0.701951 0.95716 1.21506 1.46151 1.68702 1.88663 2.05906 2.20543 2.32817 2.43027 2.51472 2.58429 2.64133 2.68783 2.72538 2.75533 2.77844 2.79487 2.8047 2.80796 2.80434 2.79236 2.77011 2.73524 2.68501 2.6162 2.52518 2.40788 2.25977 2.07575 1.8499 1.57494 1.24167 0.823727 0.278251 -0.429578 -1.3501 -2.56525 -4.18953 -6.39068 -9.38332 -13.4542 -19.0973 -27.3924 -40.2098 -61.0098 -99.6481 -182.667 -392.782 -1012.89 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -4.00933487422062e-21 1.81443299447232e-20 4.29622062230466e-20 7.47634897959858e-20 1.1246494904129339e-19 1.53353938699944e-19 1.94674074090804e-19 2.34159717235734e-19 2.70290402509068e-19 3.02271450300342e-19 3.29897782000404e-19 3.5334884139226194e-19 3.73013957397978e-19 3.89372180831118e-19 4.02902562505248e-19 4.14048905347986e-19 4.23187720868322e-19 4.3063784221642196e-19 4.366540154770919e-19 4.414525344959219e-19 4.451551646970959e-19 4.47787540906758e-19 4.4936248053798e-19 4.49884790120664e-19 4.493048021791559e-19 4.47385394571624e-19 4.438205515609739e-19 4.38233761638216e-19 4.30186028405634e-19 4.1916145098708e-19 4.04578439264412e-19 3.8578490734759196e-19 3.62055069221418e-19 3.3257181480255003e-19 2.9638665552366e-19 2.52333206795196e-19 1.9893746611387798e-19 1.3197561521949178e-19 4.45807250587134e-20 -6.88259834080452e-20 -2.1630986735633999e-19 -4.109983610368499e-19 -6.71236707344202e-19 -1.0238998171371118e-18 -1.5033736053344878e-18 -2.1556004869162797e-18 -3.05972478324882e-18 -4.3887463229181595e-18 -6.44232020178132e-18 -9.774847600501319e-18 -1.596538574424954e-17 -2.92664799202878e-17 -6.293061426557879e-17 -1.6228286908122598e-16 ] } }