{ "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" [ 8.32467 7.766886 7.421194 7.170031 6.972646 6.810024 6.671734 6.551433 6.444976 6.349502 6.262956 6.183809 6.110897 6.043307 5.980315 5.921336 5.865889 5.813573 5.764056 5.717051 5.672318 5.629645 5.588852 5.54978 5.523181 5.495186 5.465641 5.434365 5.401141 5.365712 5.327762 5.286907 5.242663 5.194418 5.141375 5.082474 5.016258 4.940648 4.852532 4.746937 4.615168 4.43982 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.32467e-10 7.766886000000001e-10 7.421194e-10 7.170031e-10 6.972646e-10 6.810024000000001e-10 6.671734e-10 6.551433000000001e-10 6.444976e-10 6.349502e-10 6.262956e-10 6.183809000000001e-10 6.110897e-10 6.043307e-10 5.980315e-10 5.921336e-10 5.865889e-10 5.813573e-10 5.764056e-10 5.717051e-10 5.672318e-10 5.629645e-10 5.588852e-10 5.549780000000001e-10 5.523181e-10 5.495186e-10 5.465641e-10 5.434365e-10 5.401141e-10 5.365712e-10 5.327762e-10 5.286907000000001e-10 5.242663e-10 5.194418e-10 5.141375e-10 5.082474000000001e-10 5.016258e-10 4.940648e-10 4.852532e-10 4.746937e-10 4.615168e-10 4.43982e-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" [ -0.661192 -0.418153 -0.192725 0.0250662 0.24394 0.476276 0.754342 1.80946 2.18309 2.37748 2.51257 2.61522 2.69655 2.76238 2.81615 2.86018 2.89613 2.92519 2.94828 2.96611 2.97927 2.98822 2.99335 2.99499 2.99421 2.99167 2.987 2.97977 2.96941 2.95518 2.93615 2.91104 2.87815 2.83514 2.77865 2.70379 2.60299 2.46411 2.26618 1.96993 1.49225 0.622414 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -1.0593463642599937e-19 -6.699549605173825e-20 -3.0877948924368003e-20 4.0160479612296965e-21 3.90834964877952e-20 7.630782722481408e-20 1.2085891164875137e-19 2.8990745082727683e-19 3.4976957591022723e-19 3.809142872419584e-19 4.0255809121234567e-19 4.190044342248576e-19 4.3203493668182397e-19 4.425820653765504e-19 4.51196969066592e-19 4.582513527279745e-19 4.640111776797505e-19 4.686671029397952e-19 4.723665287572225e-19 4.7522320967210885e-19 4.773316741050816e-19 4.787656221806976e-19 4.795875387871681e-19 4.798502957529792e-19 4.797253259765568e-19 4.793183731148737e-19 4.785701566329601e-19 4.774117829361216e-19 4.757519279569728e-19 4.734720306255744e-19 4.70423088516192e-19 4.664000230213632e-19 4.611304641155521e-19 4.5423950246949125e-19 4.45188806738592e-19 4.3319491255528323e-19 4.1704497221761927e-19 3.9479394330794877e-19 3.630820614524544e-19 3.156175790612544e-19 2.3908480623888003e-19 9.972171592586113e-20 ] } }