{ "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" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 8.63211 8.053727 7.695268 7.434828 7.230155 7.061526 6.918129 6.793385 6.682996 6.583996 6.494254 6.412185 6.336579 6.266493 6.201175 6.140018 6.082523 6.028276 5.976929 5.928189 5.881803 5.837555 5.795255 5.75474 5.727158 5.69813 5.667494 5.635063 5.600612 5.563874 5.524523 5.482159 5.436282 5.386255 5.331253 5.270177 5.201515 5.123113 5.031743 4.922248 4.785614 4.60379 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.632110000000001e-10 8.053727e-10 7.695268e-10 7.434828000000001e-10 7.230155000000001e-10 7.061526e-10 6.918129000000001e-10 6.793385e-10 6.682996e-10 6.583996e-10 6.494254e-10 6.412185e-10 6.336579e-10 6.266493e-10 6.201175000000001e-10 6.140018000000001e-10 6.082523000000001e-10 6.028276e-10 5.976929e-10 5.928189e-10 5.881803e-10 5.837555000000001e-10 5.795255e-10 5.75474e-10 5.727158000000001e-10 5.69813e-10 5.667493999999999e-10 5.635063e-10 5.600612e-10 5.563874000000001e-10 5.524523e-10 5.482159e-10 5.436282000000001e-10 5.386255e-10 5.331253e-10 5.270177000000001e-10 5.201515e-10 5.123113000000001e-10 5.031743e-10 4.922248e-10 4.785614e-10 4.60379e-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" [ 0.834691 1.20879 1.48736 1.71271 1.89931 2.05717 2.19257 2.30981 2.41212 2.50323 2.58334 2.65383 2.71579 2.7701 2.81744 2.85716 2.89088 2.9192 2.94248 2.96103 2.97511 2.98494 2.99071 2.9926 2.99168 2.98864 2.98296 2.97399 2.96089 2.94253 2.91755 2.88384 2.83844 2.77718 2.69395 2.57915 2.41742 2.18379 1.83288 1.27399 0.304996 -1.61357 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.337322405792173e-19 1.936695077456832e-19 2.383013418713088e-19 2.744063920210368e-19 3.043030077651648e-19 3.2959496790111365e-19 3.512884393467456e-19 3.7007235804900484e-19 3.8646422705640957e-19 4.010616582485184e-19 4.1389669515774725e-19 4.251904381577664e-19 4.351175245002433e-19 4.43818945727808e-19 4.514036498506752e-19 4.577674953884928e-19 4.631700349538304e-19 4.677073991439361e-19 4.714372663171585e-19 4.744093039487424e-19 4.7666516863082885e-19 4.782401082490752e-19 4.791645641592768e-19 4.79467375540608e-19 4.793199752914945e-19 4.7883291359877125e-19 4.779228772781568e-19 4.764857248492992e-19 4.743868734760512e-19 4.714452772002624e-19 4.67443040001504e-19 4.620421026127872e-19 4.547682207543552e-19 4.449532867753344e-19 4.3161837076041605e-19 4.13225383153632e-19 3.873133806654336e-19 3.4988172827368326e-19 2.936597484731904e-19 2.041156993132992e-19 4.886574606375168e-20 -2.585224130024256e-19 ] } }