{ "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" [ 0.906613 1.24004 1.49761 1.71575 1.90846 2.07869 2.22741 2.35574 2.46551 2.55929 2.63951 2.70817 2.76689 2.81692 2.85931 2.89491 2.92445 2.94856 2.96779 2.98262 2.99351 3.00086 3.00502 3.00634 3.00572 3.00373 3.0001 2.9945 2.98652 2.97563 2.96115 2.94218 2.91755 2.88565 2.84432 2.79059 2.72032 2.6279 2.4774 2.12087 1.43711 0.205199 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4525541646806419e-19 1.9867631132253599e-19 2.39943574884474e-19 2.7489345597855e-19 3.05769001892364e-19 3.3304285473294596e-19 3.5687042563379397e-19 3.7743115837791595e-19 3.95018251289334e-19 4.1004346376298593e-19 4.22896124720934e-19 4.33896669489978e-19 4.43304650684826e-19 4.513203403847279e-19 4.581119671362539e-19 4.638157159532939e-19 4.6854854573013e-19 4.72411393594704e-19 4.75492379261886e-19 4.778684072101079e-19 4.79613177564534e-19 4.807907773905239e-19 4.81457282870268e-19 4.81668770185956e-19 4.81569435234648e-19 4.8125060208448195e-19 4.8066901196634e-19 4.797717930512999e-19 4.78493256097368e-19 4.76748485742942e-19 4.7442853397691e-19 4.71389204902212e-19 4.6744304385267e-19 4.6233210039021e-19 4.55710304361888e-19 4.47101809307406e-19 4.35843314100288e-19 4.2103599764885993e-19 3.9692323930715996e-19 3.39800835775158e-19 2.30250406248774e-19 3.28765043120166e-20 ] } }