{ "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" [ 9.42476 8.793266 8.401891 8.117536 7.894067 7.709955 7.553389 7.417191 7.296665 7.188574 7.090591 7.000986 6.918438 6.841916 6.7706 6.703827 6.641052 6.581824 6.525762 6.472546 6.421901 6.373589 6.327405 6.28317 6.253056 6.221362 6.187913 6.152504 6.11489 6.074779 6.031815 5.985561 5.935471 5.880851 5.820799 5.754114 5.679148 5.593547 5.493787 5.374239 5.225059 5.02654 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.42476e-10 8.793266e-10 8.401891000000001e-10 8.117535999999999e-10 7.894067e-10 7.709955e-10 7.553389000000001e-10 7.417191e-10 7.296665e-10 7.188574e-10 7.090591000000001e-10 7.000986000000001e-10 6.918438e-10 6.841916000000001e-10 6.7706e-10 6.703827e-10 6.641052e-10 6.581824e-10 6.525762000000001e-10 6.472546e-10 6.421901000000001e-10 6.373589e-10 6.327405e-10 6.28317e-10 6.253056e-10 6.221362e-10 6.187913e-10 6.152504e-10 6.11489e-10 6.074779e-10 6.031815e-10 5.985560999999999e-10 5.935471e-10 5.880851e-10 5.820799e-10 5.754114e-10 5.679147999999999e-10 5.593547e-10 5.493787e-10 5.374239e-10 5.225059e-10 5.026539999999999e-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" [ 1.56135 2.46917 3.06342 3.47433 3.77404 4.0096 4.20374 4.36681 4.50544 4.62623 4.73384 4.83022 4.91648 4.99348 5.06145 5.1207 5.17177 5.21541 5.25274 5.28469 5.31173 5.3326 5.34583 5.35041 5.34805 5.34005 5.32564 5.30509 5.27903 5.2485 5.21517 5.18154 5.14847 5.1127 5.06861 5.00705 4.9166 4.78668 4.59905 4.31478 3.84446 2.97207 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.5015584874958997e-19 3.95604647937378e-19 4.9081399441282795e-19 5.56649034480522e-19 6.046678703781359e-19 6.424087431686399e-19 6.735134003411159e-19 6.99640094711754e-19 7.21851069388896e-19 7.412037609509819e-19 7.58444783709456e-19 7.738865621079479e-19 7.87706937752832e-19 8.00043697834632e-19 8.109336924159299e-19 8.2042658897238e-19 8.28608905042218e-19 8.35600803872994e-19 8.41581729247716e-19 8.46700683593346e-19 8.510329692116819e-19 8.5437671184684e-19 8.56496391533622e-19 8.572301884319939e-19 8.5685207474636995e-19 8.555703334391699e-19 8.532615969095759e-19 8.499691239267059e-19 8.457938516185019e-19 8.409024063548999e-19 8.355623516337779e-19 8.30174231613636e-19 8.248758334849979e-19 8.1914484766518e-19 8.120808508858739e-19 8.022178515269699e-19 7.877261638724399e-19 7.669106850435119e-19 7.3684904485977e-19 6.91303969685052e-19 6.15950398234764e-19 4.76178110861238e-19 ] } }