{ "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" [ "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" [ 10.3065 9.615928 9.18794 8.876983 8.632609 8.431272 8.26006 8.11112 7.979319 7.861116 7.753967 7.655979 7.565708 7.482027 7.40404 7.33102 7.262372 7.197603 7.136297 7.078103 7.022719 6.969888 6.919384 6.87101 6.822106 6.771711 6.719729 6.666059 6.610587 6.553187 6.493721 6.432035 6.367955 6.30129 6.231821 6.159302 6.083454 6.003955 5.920436 5.832469 5.739554 5.6411 5.536406 5.424625 5.304729 5.175447 5.035182 4.881895 4.712917 4.524667 4.312175 4.068262 3.781995 3.43551 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.03065e-09 9.615928e-10 9.187939999999999e-10 8.876982999999999e-10 8.632609000000001e-10 8.431272e-10 8.26006e-10 8.11112e-10 7.979319e-10 7.861116e-10 7.753967e-10 7.655979000000001e-10 7.565708000000001e-10 7.482027000000001e-10 7.404040000000001e-10 7.33102e-10 7.262372e-10 7.197603e-10 7.136297000000001e-10 7.078103e-10 7.022719000000001e-10 6.969888e-10 6.919384e-10 6.87101e-10 6.822106e-10 6.771711e-10 6.719729e-10 6.666059e-10 6.610587e-10 6.553187000000001e-10 6.493721e-10 6.432035e-10 6.367955e-10 6.30129e-10 6.231821000000001e-10 6.159302e-10 6.083454e-10 6.003955e-10 5.920436e-10 5.832469e-10 5.739554e-10 5.6411e-10 5.536406e-10 5.424625e-10 5.304729e-10 5.175447e-10 5.035182e-10 4.881895e-10 4.712917000000001e-10 4.524667e-10 4.312175e-10 4.068262e-10 3.7819950000000004e-10 3.43551e-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 0.0351884 0.124691 0.192258 0.25008 0.303113 0.352515 0.398536 0.441222 0.480599 0.516705 0.549602 0.579366 0.606081 0.629839 0.650732 0.668853 0.684293 0.697139 0.707477 0.715388 0.720949 0.724234 0.725314 0.724138 0.7203 0.713272 0.702419 0.686974 0.666011 0.638405 0.602783 0.557457 0.500344 0.428853 0.339739 0.229298 0.0942978 -0.0708693 -0.274741 -0.530181 -0.854155 -1.26846 -1.80227 -2.49662 -3.41105 -4.6284 -6.28692 -8.62476 -12.0446 -17.2885 -25.8625 -41.5578 -73.8997 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 5.63780322678456e-21 1.99777006670094e-20 3.08031275299572e-20 4.0067233263072e-20 4.85640566061642e-20 5.6479129613451e-20 6.385250670078239e-20 7.06915578806748e-20 7.70004488123766e-20 8.2785267767097e-20 8.80559482399668e-20 9.28246667734044e-20 9.710488165113539e-20 1.009113328981926e-19 1.0425876053960879e-19 1.071620648180802e-19 1.096358255409762e-19 1.1169398164501258e-19 1.133503118492418e-19 1.146177937843992e-19 1.1550876421056658e-19 1.160350792348356e-19 1.162081143113076e-19 1.1601969833914918e-19 1.1540478294702e-19 1.142787732086448e-19 1.125399309077646e-19 1.100653690965516e-19 1.067067262186974e-19 1.0228375740287699e-19 9.657648379724219e-20 8.931445798597379e-20 8.016394657620959e-20 6.87098256020802e-20 5.44321887458526e-20 3.67375897822932e-20 1.510817317976052e-20 -1.1354513652793619e-20 -4.40183610601794e-20 -8.494436099907539e-20 -1.36850718281427e-19 -2.0322969731636396e-19 -2.88755488215918e-19 -4.00002622797708e-19 -5.465104607405699e-19 -7.4155143328056e-19 -1.007275632382728e-18 -1.381838894585784e-18 -1.92975766858764e-18 -2.7699230736908996e-18 -4.1436293196825e-18 -6.658293612044519e-18 -1.1840037259960978e-17 ] } }