{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 7.76697 7.246554 6.924021 6.689684 6.505523 6.353796 6.22477 6.112529 6.013203 5.924125 5.843377 5.769533 5.701505 5.638444 5.579672 5.524644 5.472911 5.424101 5.377901 5.334045 5.292308 5.252495 5.214434 5.17798 5.153163 5.127043 5.099478 5.070297 5.039299 5.006243 4.970836 4.932718 4.891438 4.846425 4.796936 4.741981 4.6802 4.609655 4.527443 4.428922 4.305981 4.14238 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.76697e-10 7.246554e-10 6.924021e-10 6.689684e-10 6.505523e-10 6.353796e-10 6.224770000000001e-10 6.112529e-10 6.013203e-10 5.924125e-10 5.843377000000001e-10 5.769533e-10 5.701505e-10 5.638444e-10 5.579672e-10 5.524644e-10 5.472911e-10 5.424101e-10 5.377901e-10 5.334045e-10 5.292308000000001e-10 5.252495e-10 5.214434e-10 5.17798e-10 5.153163e-10 5.127043e-10 5.099478000000001e-10 5.070297000000001e-10 5.039299e-10 5.006243000000001e-10 4.970836e-10 4.932718e-10 4.891438e-10 4.846425000000001e-10 4.796935999999999e-10 4.741981e-10 4.6802e-10 4.609655e-10 4.527443e-10 4.4289220000000004e-10 4.305981e-10 4.1423800000000004e-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" [ 0.00431724 0.290001 0.786967 1.25349 1.6486 1.97714 2.25054 2.47926 2.67163 2.83417 2.97192 3.08882 3.18801 3.27198 3.34277 3.40205 3.45118 3.49132 3.52344 3.54837 3.56681 3.57937 3.58657 3.58888 3.58778 3.58422 3.5777 3.56762 3.55319 3.53345 3.50711 3.47251 3.42743 3.36908 3.29433 3.19876 3.07024 2.87134 2.50218 1.72146 -0.0497087 -4.32961 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.916980994382592e-22 4.6463282220862085e-20 1.2608601287411136e-19 2.008312372406592e-19 2.64134837705088e-19 3.167727484048512e-19 3.605762572175232e-19 3.9722124088846084e-19 4.280423125427904e-19 4.540840913372736e-19 4.761540742887936e-19 4.948835189859457e-19 5.107755088876608e-19 5.242289859725185e-19 5.355707942711616e-19 5.450684972792641e-19 5.529399910172544e-19 5.593711279731456e-19 5.645173192791552e-19 5.685115455948096e-19 5.714659592835648e-19 5.734782931192896e-19 5.746318602862656e-19 5.750019630856704e-19 5.748257236573824e-19 5.742553487803776e-19 5.73210729623616e-19 5.715957355898496e-19 5.6928379472603525e-19 5.661210980765761e-19 5.619009648573888e-19 5.563574337494209e-19 5.491348215428545e-19 5.397861209604864e-19 5.278098507200064e-19 5.124978487550209e-19 4.919066748244993e-19 4.600393818367873e-19 4.0089342970333446e-19 2.7580829656423683e-19 -7.964211699036096e-21 -6.936799919181888e-19 ] } }