{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.98485 8.382832 8.009725 7.738643 7.525606 7.350087 7.200829 7.070988 6.956088 6.853043 6.759633 6.67421 6.595515 6.522565 6.454578 6.390922 6.331077 6.274613 6.221169 6.170437 6.122155 6.076099 6.032071 5.9899 5.947267 5.903334 5.858019 5.811231 5.762872 5.712833 5.660993 5.607217 5.551354 5.493238 5.432677 5.369458 5.303336 5.234031 5.161222 5.084536 5.003536 4.917707 4.826438 4.728992 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.98485e-10 8.382832000000001e-10 8.009724999999999e-10 7.738643e-10 7.525606e-10 7.350087e-10 7.200829e-10 7.070988e-10 6.956088000000001e-10 6.853043e-10 6.759633e-10 6.674210000000001e-10 6.595515e-10 6.522565e-10 6.454578e-10 6.390922e-10 6.331077e-10 6.274613e-10 6.221169e-10 6.170437e-10 6.122155000000001e-10 6.076099e-10 6.032071e-10 5.9899e-10 5.947267000000001e-10 5.903334e-10 5.858019e-10 5.811231e-10 5.762872e-10 5.712833e-10 5.660993e-10 5.607217e-10 5.551354e-10 5.493238e-10 5.432677e-10 5.369458e-10 5.303336e-10 5.234031e-10 5.161222000000001e-10 5.084536e-10 5.003536e-10 4.917707000000001e-10 4.826438e-10 4.728992e-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" [ 1.02569 1.30346 1.4115 1.49675 1.61096 1.71709 1.80805 1.89072 1.96716 2.03646 2.0976 2.15152 2.21003 2.26902 2.32274 2.36791 2.4037 2.43163 2.45313 2.46928 2.4809 2.48863 2.49289 2.4942 2.4929 2.48891 2.48205 2.47202 2.45833 2.44008 2.41571 2.38241 2.33695 2.27781 2.20016 2.09662 1.962 1.79494 1.59344 1.35344 1.07449 0.743642 0.342278 -0.148313 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.64333655172746e-19 2.08837315535364e-19 2.261472318891e-19 2.3980578769394997e-19 2.58104247030864e-19 2.7510814764750596e-19 2.8968154631037e-19 3.02926740543648e-19 3.15173778733944e-19 3.2627686280756395e-19 3.3607257074783995e-19 3.44711507158368e-19 3.54085842643902e-19 3.6353708260786793e-19 3.72143975485716e-19 3.79381007341494e-19 3.8511519751458e-19 3.89590076853342e-19 3.9303475661644193e-19 3.9562227188035197e-19 3.9748400112906e-19 3.98722483667142e-19 3.9940501091322597e-19 3.9961489605228e-19 3.9940661308986e-19 3.98767344612894e-19 3.9766825144197e-19 3.96061268278068e-19 3.9386788846612198e-19 3.90943916109072e-19 3.8703941165201395e-19 3.81704163460794e-19 3.7442066848262997e-19 3.64945395869154e-19 3.5250449430614395e-19 3.35915557437708e-19 3.1434705559079997e-19 2.87581092743196e-19 2.55297233568096e-19 2.16844994352096e-19 1.7215227714666598e-19 1.1914458364610279e-19 5.48389813932252e-20 -2.3762362311844198e-20 ] } }