{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.83281 7.307982 6.982715 6.746391 6.560669 6.407655 6.277535 6.164342 6.064174 5.974341 5.892909 5.818439 5.749834 5.686237 5.626968 5.571473 5.519302 5.470078 5.423486 5.379259 5.337168 5.297016 5.258634 5.22187 5.196842 5.170502 5.142703 5.113275 5.082015 5.048679 5.012972 4.974531 4.932902 4.887507 4.837599 4.782178 4.719875 4.648733 4.565824 4.466468 4.342487 4.1775 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.83281e-10 7.307982e-10 6.982715e-10 6.746391e-10 6.560669e-10 6.407655000000001e-10 6.277535e-10 6.164342000000001e-10 6.064174000000001e-10 5.974341e-10 5.892909e-10 5.818439e-10 5.749834e-10 5.686237000000001e-10 5.626968e-10 5.571473000000001e-10 5.519302e-10 5.470078e-10 5.423486e-10 5.379259000000001e-10 5.337168e-10 5.297016e-10 5.258634e-10 5.22187e-10 5.196842e-10 5.170502e-10 5.142703e-10 5.113275e-10 5.082015e-10 5.048679e-10 5.012972000000001e-10 4.974531e-10 4.932902e-10 4.887507e-10 4.837599000000001e-10 4.782178000000001e-10 4.719875000000001e-10 4.6487330000000004e-10 4.5658240000000003e-10 4.466468e-10 4.342487e-10 4.1775000000000003e-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" [ 0.906696 1.24013 1.49769 1.71582 1.90851 2.07872 2.22741 2.3557 2.46544 2.55918 2.63937 2.70801 2.7667 2.81671 2.85908 2.89467 2.9242 2.94829 2.96751 2.98234 2.99323 3.00057 3.00473 3.00605 3.00543 3.00344 2.99981 2.99421 2.98624 2.97535 2.96088 2.94193 2.91731 2.88543 2.84351 2.77281 2.65514 2.47083 2.18946 1.76098 1.09026 -0.0529457 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.452687145341264e-19 1.9869073091224197e-19 2.39956392297546e-19 2.74904671214988e-19 3.05777012775534e-19 3.33047661262848e-19 3.5687042563379397e-19 3.7742474967138e-19 3.95007036052896e-19 4.1002583982001195e-19 4.2287369424805795e-19 4.33871034663834e-19 4.4327420932878e-19 4.51286694675414e-19 4.58075117073672e-19 4.63777263714078e-19 4.6850849131428e-19 4.72368134825586e-19 4.754475183161339e-19 4.77823546264356e-19 4.795683166187819e-19 4.80744314268138e-19 4.814108197478819e-19 4.8162230706357e-19 4.81522972112262e-19 4.81204138962096e-19 4.80622548843954e-19 4.797253299289139e-19 4.78448395151616e-19 4.7670362479719e-19 4.74385275207792e-19 4.71349150486362e-19 4.67404591613454e-19 4.62296852504262e-19 4.55580528054534e-19 4.44253139252154e-19 4.2540032679987596e-19 3.9587060925862195e-19 3.5079016530776397e-19 2.8214010089413197e-19 1.74678909698484e-19 -8.48283634107738e-21 ] } }