{ "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" [ "Re" "Re" "Re" "Re" "Re" "Re" "Re" "Re" ] } "a" { "source-value" [ 10.0736 9.398625 8.980302 8.676369 8.437514 8.240724 8.073379 7.927802 7.798978 7.683445 7.578715 7.48294 7.394708 7.312918 7.236692 7.165321 7.098224 7.034917 6.974996 6.918116 6.863983 6.812345 6.762981 6.7157 6.667902 6.618645 6.567839 6.515382 6.461163 6.405061 6.346939 6.286647 6.224016 6.158857 6.090958 6.020078 5.945944 5.868242 5.786611 5.700632 5.609817 5.513589 5.411261 5.302007 5.184821 5.05846 4.921366 4.771543 4.606385 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0073600000000001e-09 9.398624999999999e-10 8.980302e-10 8.676369e-10 8.437514e-10 8.240724000000001e-10 8.073379e-10 7.927802e-10 7.798978e-10 7.683445e-10 7.578715000000001e-10 7.48294e-10 7.394708e-10 7.312918e-10 7.236692e-10 7.165321e-10 7.098224000000001e-10 7.034917e-10 6.974996e-10 6.918116000000001e-10 6.863983e-10 6.812345e-10 6.762981e-10 6.7157e-10 6.667902e-10 6.618645e-10 6.567839000000001e-10 6.515382000000001e-10 6.461163e-10 6.405061e-10 6.346939e-10 6.286647e-10 6.224016e-10 6.158857e-10 6.090958e-10 6.020078e-10 5.945944e-10 5.868242e-10 5.786611e-10 5.700632e-10 5.609817e-10 5.513589e-10 5.411261e-10 5.302007e-10 5.184821000000001e-10 5.05846e-10 4.921366e-10 4.771543000000001e-10 4.6063850000000006e-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" [ 2.22073 3.32876 4.30259 5.19513 6.02941 6.81093 7.54819 8.24121 8.89219 9.50243 10.0733 10.6059 11.0987 11.5517 11.9661 12.3412 12.6749 12.9666 13.2154 13.4206 13.5813 13.6966 13.7676 13.7915 13.7645 13.674 13.5034 13.2327 12.8338 12.2719 11.5023 10.4663 9.08711 7.26344 4.8576 1.68375 -2.51084 -8.08644 -15.5495 -25.6258 -39.3932 -58.472 -85.3822 -124.132 -181.338 -268.375 -405.741 -632.601 -1029.12 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.55800171642282e-19 5.3332614921938395e-19 6.893509163682061e-19 8.323515896592419e-19 9.66017981880594e-19 1.0912312901809618e-18 1.2093533646992459e-18 1.320387409788714e-18 1.4246859043088458e-18 1.522457131222062e-18 1.6139205887272198e-18 1.6992525162540598e-18 1.7782077807775796e-18 1.85078638229778e-18 1.91718058201074e-18 1.9772782275520798e-18 2.03074286182866e-18 2.0774783542424398e-18 2.11734050889636e-18 2.15021717342604e-18 2.17596415193442e-18 2.19443724852444e-18 2.20581270262584e-18 2.2096419047810996e-18 2.2053160278693e-18 2.1908163293315998e-18 2.1634831959555598e-18 2.12011227447318e-18 2.0562014485429197e-18 1.96617514347846e-18 1.8428716297258198e-18 1.67688613044342e-18 1.4559155312587738e-18 1.163731385046096e-18 7.782733217318399e-19 2.6976649074975e-19 -4.0228091797125596e-19 -1.2955905220242959e-18 -2.4913045570382997e-18 -4.10570579875572e-18 -6.3114864578488795e-18 -9.368247214324799e-18 -1.3679736579951479e-17 -1.98881389931688e-17 -2.90535506456292e-17 -4.2998415414974996e-17 -6.500687496557939e-17 -1.013538540845034e-16 -1.6488320175820798e-16 ] } }