{ "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 6.490273 6.457377 6.422659 6.385906 6.346865 6.305232 6.260638 6.212629 6.160638 6.103946 6.041615 5.972401 5.89459 5.805741 5.702196 5.578112 5.423271 5.21722 ] "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 6.490273e-10 6.457377000000001e-10 6.422659e-10 6.385906e-10 6.346865e-10 6.305232e-10 6.260638000000001e-10 6.212629e-10 6.160638e-10 6.103946e-10 6.041615000000001e-10 5.972401e-10 5.89459e-10 5.805741000000001e-10 5.702196e-10 5.578112e-10 5.423271e-10 5.217220000000001e-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 0.932483 0.930578 0.926721 0.920254 0.910434 0.896448 0.877433 0.852491 0.820685 0.780937 0.731677 0.669941 0.58921 0.474742 0.293777 -0.012948 -0.452452 -1.08745 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -7.712333512480128e-22 -4.3966129739683204e-21 -9.573854462889024e-22 1.0545927062260801e-20 2.6542939641469442e-20 4.3819210143555845e-20 6.04613391391296e-20 7.555063855382401e-20 8.876122566296833e-20 1.0008412827748609e-19 1.0966210033429057e-19 1.1769781717591297e-19 1.244043682929197e-19 1.2998026336862784e-19 1.3459917834873216e-19 1.3840627043507713e-19 1.4151865873864322e-19 1.440286286327885e-19 1.46006355453504e-19 1.4749525818721346e-19 1.4851071772947648e-19 1.4906186648703168e-19 1.4935105936708609e-19 1.494840400266125e-19 1.4940024618934463e-19 1.4909503154308225e-19 1.484770720204397e-19 1.4744094439976832e-19 1.4586760695814271e-19 1.4362680273629186e-19 1.4058026389184065e-19 1.3658411496424128e-19 1.3148823200412482e-19 1.2511990037176897e-19 1.1722757833770816e-19 1.0733638075153729e-19 9.44018486741568e-20 7.606205333118336e-20 4.7068264112876163e-20 -2.07449828861184e-21 -7.249080164342017e-20 -1.74228696628896e-19 ] } }