{ "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" [ 7.83308 7.308234 6.982955 6.746623 6.560895 6.407875 6.277751 6.164554 6.064383 5.974547 5.893112 5.818639 5.750032 5.686433 5.627162 5.571665 5.519492 5.470266 5.423673 5.379444 5.337352 5.297199 5.258815 5.22205 5.197021 5.17068 5.14288 5.113451 5.082189 5.048852 5.013144 4.974701 4.93307 4.887675 4.837764 4.782341 4.720035 4.648891 4.565979 4.46662 4.342633 4.17764 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.83308e-10 7.308234e-10 6.982955e-10 6.746623e-10 6.560895000000001e-10 6.407875e-10 6.277751000000001e-10 6.164554e-10 6.064383e-10 5.974547000000001e-10 5.893112000000001e-10 5.818639e-10 5.750032000000001e-10 5.686433e-10 5.627162e-10 5.571665000000001e-10 5.519492e-10 5.470266e-10 5.423673e-10 5.379444000000001e-10 5.337352e-10 5.297199e-10 5.258815e-10 5.222050000000001e-10 5.197021e-10 5.17068e-10 5.14288e-10 5.113451000000001e-10 5.082189e-10 5.048852e-10 5.013144e-10 4.974701e-10 4.93307e-10 4.887675e-10 4.837764e-10 4.782341e-10 4.720035e-10 4.648891e-10 4.5659789999999996e-10 4.46662e-10 4.3426330000000003e-10 4.1776400000000005e-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" [ 0.933844 1.26727 1.52484 1.74298 1.93569 2.10592 2.25464 2.38297 2.49274 2.58652 2.66674 2.7354 2.79412 2.84415 2.88654 2.92214 2.95168 2.97579 2.99502 3.00985 3.02074 3.02809 3.03225 3.03357 3.03295 3.03096 3.02733 3.02173 3.01375 3.00286 2.98838 2.96942 2.94478 2.91288 2.87156 2.81782 2.74755 2.65513 2.53353 2.37468 2.16729 1.87785 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4961830242743552e-19 2.030390366241216e-19 2.4430629984606723e-19 2.7925618065219844e-19 3.101317263116352e-19 3.374055789275136e-19 3.6123314963205124e-19 3.817938822067776e-19 3.9938097497329924e-19 4.1440618732316164e-19 4.272588481752192e-19 4.38259392853632e-19 4.476673739709696e-19 4.5568306360483205e-19 4.624746903004032e-19 4.681784390704513e-19 4.729112688082944e-19 4.767741166410432e-19 4.798551022828416e-19 4.822311302114881e-19 4.839759005515393e-19 4.851535003678273e-19 4.8582000584208e-19 4.860314931560256e-19 4.85932158205536e-19 4.856133250579968e-19 4.850317349446465e-19 4.841345160369984e-19 4.828559790936001e-19 4.811112087535489e-19 4.787912570066304e-19 4.757535301335936e-19 4.718057669399424e-19 4.666948235195904e-19 4.600746297224449e-19 4.514645325622657e-19 4.40206037447904e-19 4.253987211184705e-19 4.059162534095424e-19 3.8046567778813446e-19 3.4723813684936323e-19 3.00864736736928e-19 ] } }