{ "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" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" [ 8.80898 8.218745 7.852941 7.587165 7.378297 7.206214 7.059878 6.932578 6.819927 6.718899 6.627317 6.543566 6.466412 6.39489 6.328233 6.265823 6.207149 6.151791 6.099392 6.049653 6.002317 5.957161 5.913995 5.87265 5.844503 5.81488 5.783617 5.750521 5.715365 5.677874 5.637717 5.594485 5.547667 5.496616 5.440487 5.378159 5.308091 5.228082 5.13484 5.023103 4.883669 4.69812 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.80898e-10 8.218745000000001e-10 7.852941e-10 7.587165e-10 7.378297e-10 7.206214000000001e-10 7.059878000000001e-10 6.932578000000001e-10 6.819927e-10 6.718899000000001e-10 6.627317e-10 6.543566000000001e-10 6.466412e-10 6.39489e-10 6.328233e-10 6.265823e-10 6.207149e-10 6.151791000000001e-10 6.099392e-10 6.049653000000001e-10 6.002317e-10 5.957161000000001e-10 5.913995e-10 5.87265e-10 5.844503e-10 5.81488e-10 5.783617e-10 5.750521e-10 5.715365000000001e-10 5.677874000000001e-10 5.637717e-10 5.594485e-10 5.547667e-10 5.496616e-10 5.440487e-10 5.378159e-10 5.308091000000001e-10 5.228082e-10 5.13484e-10 5.023103e-10 4.883669000000001e-10 4.698120000000001e-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 0.16829 0.644173 1.07474 1.40873 1.65324 1.8233 1.93277 2.00839 2.07288 2.12804 2.17524 2.21557 2.24994 2.27908 2.30358 2.32397 2.34069 2.3541 2.36452 2.37225 2.37752 2.38054 2.38151 2.38105 2.37955 2.37682 2.37259 2.36655 2.35829 2.34729 2.33287 2.31412 2.28981 2.25823 2.21691 2.1622 2.08831 1.93023 1.59459 0.978302 -0.143941 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.69630303514432e-20 1.0320789203505984e-19 1.7219233014385922e-19 2.2570342710195843e-19 2.648782476571392e-19 2.92124863270464e-19 3.0966389073836164e-19 3.217795503448512e-19 3.3211198737239044e-19 3.409495936127232e-19 3.4851186726289923e-19 3.549734455745856e-19 3.6048012662027524e-19 3.6514886929328643e-19 3.6907420201424646e-19 3.723410401440576e-19 3.750198794540352e-19 3.77168398302528e-19 3.7883786634140166e-19 3.8007634886928005e-19 3.8092069594844164e-19 3.814045532879232e-19 3.815599644201408e-19 3.8148626429558404e-19 3.8124593780246403e-19 3.808085435849856e-19 3.8013082287438727e-19 3.7916310819542405e-19 3.7783971030664323e-19 3.7607731602376325e-19 3.7376697733656966e-19 3.7076289617256963e-19 3.6686800480740485e-19 3.6180833103891845e-19 3.5518813724177282e-19 3.46422628949376e-19 3.345841458982848e-19 3.092569378766784e-19 2.554814817761472e-19 1.5674125924818816e-19 -2.3061890497457282e-20 ] } }