{ "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" [ "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "a" { "source-value" [ 8.44548 7.879602 7.528893 7.274084 7.073835 6.908853 6.768556 6.646509 6.538507 6.441648 6.353845 6.273551 6.19958 6.131009 6.067103 6.007268 5.951016 5.897942 5.847705 5.800019 5.754636 5.711344 5.669959 5.63032 5.590247 5.548951 5.506356 5.462377 5.416921 5.369886 5.321157 5.27061 5.218101 5.163473 5.106548 5.047124 4.984971 4.919827 4.851389 4.779306 4.703168 4.622492 4.536702 4.445105 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.44548e-10 7.879602000000001e-10 7.528893000000001e-10 7.274084000000001e-10 7.073835e-10 6.908853e-10 6.768556e-10 6.646509000000001e-10 6.538507e-10 6.441648e-10 6.353845e-10 6.273551000000001e-10 6.19958e-10 6.131009e-10 6.067103000000001e-10 6.007268e-10 5.951016e-10 5.897942e-10 5.847705000000001e-10 5.800019e-10 5.754636e-10 5.711344e-10 5.669959e-10 5.630320000000001e-10 5.590246999999999e-10 5.548951e-10 5.506356e-10 5.462377000000001e-10 5.416921000000001e-10 5.369886e-10 5.321157000000001e-10 5.270609999999999e-10 5.218101e-10 5.163472999999999e-10 5.106548000000001e-10 5.047124e-10 4.984971e-10 4.919827e-10 4.851389e-10 4.779306e-10 4.703168e-10 4.6224920000000004e-10 4.536702e-10 4.445105e-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" [ 3.02134e-09 0.000160515 0.0126015 0.118396 0.428224 0.937275 1.53767 2.11896 2.61814 3.0167 3.32157 3.54946 3.7182 3.84313 3.93615 4.00605 4.05908 4.09958 4.13053 4.15391 4.17105 4.18277 4.18959 4.1918 4.18943 4.1818 4.16801 4.14702 4.11758 4.07822 4.02716 3.96228 -17.8723 -18.7842 -19.7858 -20.8904 -22.1141 -25.001 -30.8846 -70.89 -76.3584 -82.2391 -118.644 -432.24 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.84072035136956e-28 2.5717338240650998e-23 2.0189828853351e-21 1.89691304759064e-20 6.860904869180159e-20 1.5016801046323498e-19 2.46361894480278e-19 3.39494820038064e-19 4.19472273254076e-19 4.8332862517878e-19 5.321741842195379e-19 5.686861875317639e-19 5.957213160538799e-19 6.157373087424419e-19 6.3064075579191e-19 6.4183997046357e-19 6.503363131536719e-19 6.568251285213719e-19 6.61783865203602e-19 6.655297541738939e-19 6.682758849245699e-19 6.701536359396179e-19 6.71246320404006e-19 6.7160040144012e-19 6.712206855778619e-19 6.6999822480612e-19 6.677888232278339e-19 6.64425854473068e-19 6.59709046462572e-19 6.53402879231148e-19 6.45222165337944e-19 6.348272433365519e-19 -2.8634581455838197e-18 -3.0095606328382794e-18 -3.1700346444997194e-18 -3.3470110754913597e-18 -3.54306943019394e-18 -4.0056018026634e-18 -4.94825844704364e-18 -1.1357830158426e-17 -1.223396442896256e-17 -1.3176156442118938e-17 -1.90088644564296e-17 -6.9252482828016e-17 ] } }