{ "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" [ "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" "Hg" ] } "a" { "source-value" [ 8.80602 8.215984 7.850303 7.584617 7.37582 7.203794 7.057508 6.930251 6.817638 6.716643 6.625093 6.54137 6.464241 6.392743 6.32611 6.26372 6.205067 6.149727 6.097346 6.047623 6.000303 5.955163 5.912011 5.87068 5.842543 5.812929 5.781676 5.748591 5.713447 5.675969 5.635825 5.592607 5.545805 5.494771 5.438661 5.376354 5.306308 5.226326 5.133115 5.021415 4.882027 4.69654 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.806020000000001e-10 8.215984e-10 7.850303e-10 7.584617e-10 7.375820000000001e-10 7.203794000000001e-10 7.057508e-10 6.930251e-10 6.817638e-10 6.716643000000001e-10 6.625093e-10 6.54137e-10 6.464241000000001e-10 6.392743e-10 6.326110000000001e-10 6.26372e-10 6.205066999999999e-10 6.149727e-10 6.097346e-10 6.047623e-10 6.000303e-10 5.955163e-10 5.912011e-10 5.87068e-10 5.842543e-10 5.812929e-10 5.781676e-10 5.748591e-10 5.713447000000001e-10 5.675969e-10 5.635825e-10 5.592607e-10 5.545805e-10 5.494771000000001e-10 5.438661e-10 5.376354e-10 5.306308e-10 5.226326000000001e-10 5.133115e-10 5.021415e-10 4.882027e-10 4.69654e-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" [ 0.0227218 0.0340586 0.0440223 0.0531542 0.06169 0.069686 0.0772291 0.0843196 0.0909799 0.0972235 0.103064 0.108513 0.113556 0.11819 0.122429 0.126267 0.129682 0.132666 0.135212 0.137311 0.138955 0.140134 0.140861 0.141106 0.140982 0.140567 0.139776 0.138499 0.136596 0.133861 0.130015 0.124663 0.117237 0.106892 0.0923314 0.0714966 0.0409172 -0.00553582 -0.0796768 -0.206725 -0.448866 -1.00031 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.640433674249344e-21 5.456789265717889e-21 7.053149985384384e-21 8.516241653732736e-21 9.8838275737152e-21 1.116492799970688e-20 1.2373465846542528e-20 1.3509489179520768e-20 1.4576586874272194e-20 1.5576921869234882e-20 1.6512673124613122e-20 1.738569916528704e-20 1.819367683515648e-20 1.8936125481235203e-20 1.961528815079232e-20 2.023020353785536e-20 2.077734685385856e-20 2.1255436357505283e-20 2.166335052516096e-20 2.199964739786688e-20 2.22630452343264e-20 2.2451941857918723e-20 2.256842009825088e-20 2.2607673425460482e-20 2.258780643536256e-20 2.252131610559936e-20 2.2394583934894082e-20 2.2189985980417922e-20 2.188509176947968e-20 2.1446896463690883e-20 2.08306993353312e-20 1.9973214407879042e-20 1.878343804927296e-20 1.7125986335055362e-20 1.4793121044573312e-20 1.1455018098668927e-20 6.555658122859777e-21 -8.869361380957057e-22 -1.2765630618015745e-20 -3.3120996193488e-20 -7.191626110720128e-20 -1.6026732955524482e-19 ] } }