{ "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" [ "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 5.73484 5.350585 5.112439 4.939414 4.803437 4.691407 4.596139 4.513265 4.439926 4.374155 4.314534 4.26001 4.209781 4.163218 4.119824 4.079193 4.040996 4.004956 3.970844 3.938463 3.907646 3.878249 3.850147 3.82323 3.796019 3.767977 3.739053 3.70919 3.678323 3.646384 3.613296 3.578972 3.543316 3.506222 3.467567 3.427216 3.385011 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.73484e-10 5.350584999999999e-10 5.112439e-10 4.939414000000001e-10 4.803437e-10 4.691407e-10 4.5961390000000003e-10 4.513265e-10 4.439926e-10 4.3741550000000004e-10 4.3145340000000004e-10 4.2600100000000004e-10 4.2097810000000004e-10 4.1632179999999997e-10 4.1198240000000005e-10 4.079193e-10 4.040996e-10 4.004956e-10 3.970844e-10 3.938463e-10 3.907646e-10 3.878249e-10 3.8501470000000005e-10 3.82323e-10 3.796019e-10 3.767977e-10 3.7390530000000006e-10 3.70919e-10 3.6783229999999997e-10 3.646384e-10 3.613296e-10 3.578972e-10 3.543316e-10 3.5062220000000006e-10 3.467567e-10 3.427216e-10 3.385011e-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" [ 1.85326 2.76914 3.57961 4.32129 5.01038 5.65503 6.26268 6.83451 7.3717 7.87658 8.34868 8.78804 9.195 9.56986 9.9115 10.2195 10.4935 10.7336 10.9384 11.1073 11.2394 11.3347 11.3934 11.4132 11.3909 11.3163 11.1757 10.9516 10.6217 10.1574 9.52189 8.66845 7.53213 6.02882 4.04596 1.4299 -2.02977 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.96924986872684e-19 4.43665140427476e-19 5.73516750083274e-19 6.92346986673786e-19 8.027513763460919e-19 9.060356930569019e-19 1.0033919562219118e-18 1.095009222683934e-18 1.1810765492857798e-18 1.2619672431831718e-18 1.337606002074312e-18 1.407999234665736e-18 1.473201414963e-18 1.533260608265124e-18 1.5879973707890999e-18 1.6373444111162998e-18 1.6812440508878998e-18 1.7197123118702398e-18 1.75252488933456e-18 1.7795856526828198e-18 1.8007504060179598e-18 1.81601914933998e-18 1.8254239261815598e-18 1.82859623591688e-18 1.8250233820230598e-18 1.81307114433342e-18 1.79054454085938e-18 1.7546397624914396e-18 1.70178395533578e-18 1.62739489421916e-18 1.525574966951826e-18 1.38883880429973e-18 1.206780269025042e-18 9.659234534591879e-19 6.48234257409864e-19 2.2909523689566e-19 -3.25205006639418e-19 ] } }