{ "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 10.1861 9.503591 9.080599 8.773273 8.531752 8.332766 8.163553 8.016351 7.886089 7.769267 7.663368 7.566524 7.477307 7.394604 7.317527 7.245359 7.177513 7.1135 7.05291 6.995395 6.940658 6.888444 6.838529 6.79072 6.742388 6.692581 6.641207 6.588164 6.53334 6.476611 6.41784 6.356874 6.293543 6.227657 6.158999 6.087328 6.012365 5.933795 5.851252 5.764313 5.672484 5.57518 5.471709 5.361234 5.242739 5.114967 4.976342 4.824846 4.657842 4.471791 4.261782 4.020719 3.737797 3.39536 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.01861e-09 9.503591000000001e-10 9.080598999999999e-10 8.773273e-10 8.531752e-10 8.332766e-10 8.163553e-10 8.016351e-10 7.886089e-10 7.769267e-10 7.663368000000001e-10 7.566524e-10 7.477307e-10 7.394604000000001e-10 7.317527e-10 7.245359e-10 7.177513e-10 7.1135e-10 7.05291e-10 6.995395000000001e-10 6.940658000000001e-10 6.888444e-10 6.838529000000001e-10 6.79072e-10 6.742388000000001e-10 6.692581e-10 6.641207e-10 6.588164e-10 6.53334e-10 6.476611000000001e-10 6.417840000000001e-10 6.356874000000001e-10 6.293543e-10 6.227657e-10 6.158999e-10 6.087328000000001e-10 6.012365e-10 5.933795e-10 5.851251999999999e-10 5.764312999999999e-10 5.672484e-10 5.575179999999999e-10 5.471709e-10 5.361234e-10 5.242739000000001e-10 5.114967e-10 4.976342e-10 4.824846e-10 4.657842e-10 4.4717909999999997e-10 4.261782e-10 4.0207189999999997e-10 3.7377970000000003e-10 3.39536e-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" [ 0.157383 0.251155 0.33604 0.414828 0.48528 0.54815 0.604912 0.656634 0.704043 0.74758 0.787421 0.82359 0.856101 0.885034 0.910528 0.932751 0.95187 0.968041 0.981406 0.992093 1.00022 1.0059 1.00924 1.01033 1.00915 1.00534 0.998426 0.987858 0.972992 0.953081 0.927248 0.894479 0.853599 0.803281 0.741802 0.666735 0.575028 0.462864 0.325324 0.155323 -0.0566034 -0.323191 -0.661844 -1.09687 -1.66318 -2.41304 -3.42732 -4.83432 -6.8463 -9.83121 -14.4717 -22.1528 -36.0117 -64.3374 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.5215536518882196e-20 4.0239467251227e-20 5.3839543608936e-20 6.646277287289519e-20 7.7750427694752e-20 8.782331219271e-20 9.69175872026208e-20 1.052043651889956e-19 1.1280012439312619e-19 1.19775520804572e-19 1.261587527320914e-19 1.31953665399606e-19 1.371625018544034e-19 1.417980795095556e-19 1.4588266862027519e-19 1.4944318575401338e-19 1.52506387260558e-19 1.550972670953994e-19 1.572385761667404e-19 1.589508223354962e-19 1.60252911285948e-19 1.6116294761406e-19 1.6169807460981597e-19 1.6187271186292198e-19 1.6168365502010998e-19 1.6107322572255598e-19 1.599654807978084e-19 1.582723005309972e-19 1.5589050474689278e-19 1.5270041085093537e-19 1.4856150795232319e-19 1.433113353403686e-19 1.367616372605766e-19 1.286998048736154e-19 1.188497831454468e-19 1.0682272380699899e-19 9.21296425495752e-20 7.415898855197759e-20 5.2122651127941596e-20 2.4885488132278196e-20 -9.068864488495559e-21 -5.1780906851909396e-20 -1.0603909921530959e-19 -1.75737948453558e-19 -2.66470813413612e-19 -3.86611630490736e-19 -5.49117202124088e-19 -7.745434545278879e-19 -1.09689818893542e-18 -1.575133494594714e-18 -2.31862195942578e-18 -3.54926985376752e-18 -5.769710429061779e-18 -1.030798789723116e-17 ] } }