{ "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 9.7823 9.126849 8.720627 8.425485 8.193539 8.002441 7.839937 7.698571 7.573473 7.461282 7.359582 7.266577 7.180897 7.101473 7.027451 6.958145 6.892989 6.831513 6.773325 6.718091 6.665524 6.615379 6.567443 6.52153 6.475114 6.427281 6.377944 6.327004 6.274353 6.219873 6.163431 6.104882 6.044062 5.980788 5.914852 5.846022 5.774031 5.698576 5.619305 5.535812 5.447623 5.354177 5.254808 5.148713 5.034915 4.912208 4.779078 4.633587 4.473204 4.294529 4.092845 3.861338 3.589632 3.26077 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.7823e-10 9.126849e-10 8.720627e-10 8.425485000000001e-10 8.193539e-10 8.002441e-10 7.839937e-10 7.698571000000001e-10 7.573473e-10 7.461282e-10 7.359582e-10 7.266577e-10 7.180897000000001e-10 7.101473e-10 7.027451000000001e-10 6.958145e-10 6.892989e-10 6.831513000000001e-10 6.773325e-10 6.718091e-10 6.665524e-10 6.615379e-10 6.567443e-10 6.521530000000001e-10 6.475114e-10 6.427281e-10 6.377944000000001e-10 6.327004e-10 6.274353e-10 6.219873e-10 6.163431e-10 6.104882e-10 6.044062e-10 5.980788000000001e-10 5.914852e-10 5.846022e-10 5.774031e-10 5.698576e-10 5.619305e-10 5.535812e-10 5.447623e-10 5.354177e-10 5.254808e-10 5.148713e-10 5.034915e-10 4.912208e-10 4.779078000000001e-10 4.6335870000000004e-10 4.4732040000000004e-10 4.294529e-10 4.092845e-10 3.861338e-10 3.589632e-10 3.26077e-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" [ -0.00481366 -0.0274415 -0.00597553 0.0658225 0.165668 0.273498 0.37737 0.47155 0.554004 0.624676 0.684457 0.734612 0.776471 0.811273 0.840102 0.863864 0.88329 0.898956 0.9113 0.920593 0.926931 0.930371 0.932176 0.933006 0.931797 0.927355 0.918504 0.904219 0.883719 0.856538 0.822512 0.781633 0.73372 0.677861 0.611649 0.530295 0.425795 0.28623 0.0967661 -0.12944 -0.381339 -0.657328 -0.964276 -1.32975 -1.81653 -2.53481 -3.64578 -5.34339 -7.65998 -10.914 -15.5617 -23.303 -38.4787 -72.1859 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -7.712333576020439e-22 -4.3966130101911e-21 -9.57385454176602e-22 1.05459271491465e-20 2.65429398601512e-20 4.38192105045732e-20 6.0461339637258e-20 7.555063917627e-20 8.876122639425361e-20 1.000841291020584e-19 1.096621012377738e-19 1.176978181456008e-19 1.244043693178614e-19 1.299802644395082e-19 1.3459917945766678e-19 1.3840627157537759e-19 1.41518659904586e-19 1.4402862981941038e-19 1.4600635665642e-19 1.474952594023962e-19 1.4851071895302538e-19 1.4906186771512137e-19 1.493510605975584e-19 1.494840412581804e-19 1.492903381031298e-19 1.48578651242307e-19 1.4716056470355358e-19 1.448718553818846e-19 1.415873932821846e-19 1.372325169733092e-19 1.3178095075846079e-19 1.2523141289633218e-19 1.17554903989848e-19 1.086053055299874e-19 9.79969736009466e-20 8.496262581270298e-20 6.821987998740299e-20 4.585910179498199e-20 1.5503638438330737e-20 -2.0738574350496e-20 -6.10972435432926e-20 -1.0531555624739519e-19 -1.544940475926984e-19 -2.1304943790614998e-19 -2.9104019209600196e-19 -4.0612133536295395e-19 -5.841183528704519e-19 -8.56105460434926e-19 -1.2272640972907318e-18 -1.7486155783476e-18 -2.4932592125317797e-18 -3.7335522102102e-18 -6.1649674046695805e-18 -1.156545622842606e-17 ] } }