{ "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" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 5.28601 4.931828 4.712321 4.552837 4.427502 4.32424 4.236428 4.16004 4.092441 4.031817 3.976862 3.926606 3.880308 3.83739 3.797391 3.759941 3.724733 3.691514 3.660071 3.630224 3.601819 3.574723 3.54882 3.52401 3.498928 3.473081 3.446421 3.418895 3.390444 3.361005 3.330506 3.298868 3.266003 3.231812 3.196183 3.158989 3.120088 3.079314 3.036479 2.991363 2.943709 2.893214 2.839518 2.782188 2.720696 2.654389 2.58245 2.503832 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.28601e-10 4.931828e-10 4.712321000000001e-10 4.5528370000000005e-10 4.4275019999999996e-10 4.32424e-10 4.236428e-10 4.1600400000000005e-10 4.092441e-10 4.031817e-10 3.9768620000000003e-10 3.926606e-10 3.880308e-10 3.83739e-10 3.7973910000000005e-10 3.7599410000000003e-10 3.724733e-10 3.6915140000000005e-10 3.660071e-10 3.6302240000000004e-10 3.601819e-10 3.574723e-10 3.5488200000000004e-10 3.52401e-10 3.498928e-10 3.4730810000000003e-10 3.446421e-10 3.418895e-10 3.390444e-10 3.361005e-10 3.3305060000000004e-10 3.2988680000000005e-10 3.2660030000000003e-10 3.2318120000000004e-10 3.196183e-10 3.1589890000000003e-10 3.120088e-10 3.079314e-10 3.036479e-10 2.991363e-10 2.943709e-10 2.893214e-10 2.839518e-10 2.7821880000000003e-10 2.720696e-10 2.6543890000000003e-10 2.58245e-10 2.503832e-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" [ 1.20861 1.77459 2.20139 2.55073 2.83797 3.08027 3.2882 3.46842 3.62557 3.76306 3.88347 3.98889 4.08265 4.16916 4.24675 4.31335 4.36906 4.41482 4.45165 4.48042 4.50187 4.51661 4.52514 4.52789 4.52496 4.51553 4.49855 4.47275 4.43668 4.38909 4.32867 4.25258 4.15682 4.03692 3.8879 3.70401 3.47816 3.20152 2.86295 2.4512 1.95178 1.33376 0.560599 -0.411242 -1.63832 -3.19337 -5.1945 -7.8019 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9364067016187398e-19 2.8432066329300595e-19 3.5270156203212596e-19 4.08672000564282e-19 4.546929221992979e-19 4.93513662041118e-19 5.268277207918799e-19 5.55702148089828e-19 5.80880353893138e-19 6.0290868043400395e-19 6.22200489283998e-19 6.39090635359626e-19 6.5411264348001e-19 6.679730735407439e-19 6.804043620439499e-19 6.910748584263899e-19 7.00000584454404e-19 7.073321447315879e-19 7.132329612746099e-19 7.178424234506279e-19 7.21279092330558e-19 7.236407006890739e-19 7.250073573578761e-19 7.25447955932226e-19 7.24978518178464e-19 7.23467665612602e-19 7.2074716968807e-19 7.166135539723499e-19 7.108345028535119e-19 7.03209744252306e-19 6.935293930296779e-19 6.81338431021572e-19 6.659959875743879e-19 6.46785889732728e-19 6.2291025353286e-19 5.934478274102339e-19 5.57262668131344e-19 5.129400537283679e-19 4.5869515943103e-19 3.9272553652607997e-19 3.12709631070852e-19 2.1369191073638399e-19 8.981786188437658e-20 -6.58882323319428e-20 -2.62487802301488e-19 -5.116342797716579e-19 -8.322506525312999e-19 -1.25000218808046e-18 ] } }