{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.57342 7.998969 7.642946 7.384277 7.180995 7.013513 6.87109 6.747195 6.637556 6.539229 6.450097 6.368586 6.293494 6.223884 6.159011 6.098269 6.041165 5.987286 5.936289 5.88788 5.841809 5.797862 5.75585 5.71561 5.67493 5.633008 5.589768 5.545122 5.498978 5.45123 5.401764 5.35045 5.297146 5.24169 5.183903 5.123578 5.060484 4.994353 4.924878 4.851703 4.774412 4.692513 4.605424 4.512439 4.412704 4.305161 4.188482 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.573420000000001e-10 7.998969e-10 7.642946000000001e-10 7.384277e-10 7.180995000000001e-10 7.013513e-10 6.87109e-10 6.747195e-10 6.637556e-10 6.539229e-10 6.450097e-10 6.368586e-10 6.293494e-10 6.223884000000001e-10 6.159011e-10 6.098269e-10 6.041165000000001e-10 5.987286e-10 5.936289e-10 5.88788e-10 5.841809e-10 5.797862e-10 5.75585e-10 5.71561e-10 5.67493e-10 5.633008000000001e-10 5.589768000000001e-10 5.545122000000001e-10 5.498978000000001e-10 5.45123e-10 5.401764e-10 5.350450000000001e-10 5.297145999999999e-10 5.241690000000001e-10 5.183903e-10 5.123578e-10 5.060484e-10 4.994353e-10 4.924877999999999e-10 4.851703e-10 4.774412e-10 4.692513e-10 4.6054240000000003e-10 4.512439e-10 4.412704e-10 4.3051610000000003e-10 4.1884819999999995e-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" [ 0.86701 1.12805 1.34602 1.57045 1.79063 1.97667 2.12485 2.24527 2.34747 2.43787 2.52037 2.59694 2.66806 2.73322 2.79155 2.84233 2.88531 2.92066 2.94885 2.97051 2.9863 2.99687 3.00282 3.00468 3.00278 2.99688 2.98669 2.97191 2.95228 2.92748 2.89696 2.85999 2.81563 2.76264 2.69935 2.62354 2.53224 2.4212 2.28552 2.11939 1.9156 1.66451 1.35271 0.962257 0.469996 -0.15557 -0.96389 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3891031634443397e-19 1.8073353519836998e-19 2.1565617928966798e-19 2.5161382948652995e-19 2.8689055461394196e-19 3.1669744871287798e-19 3.4043850207549e-19 3.5973191310211797e-19 3.7610615830159798e-19 3.90589835072958e-19 4.0380779230345803e-19 4.16075658789996e-19 4.27470339011004e-19 4.37910121958148e-19 4.4725561826427e-19 4.55391471211722e-19 4.62277626384654e-19 4.679413207858439e-19 4.7245785671709e-19 4.759281713063339e-19 4.784580082114199e-19 4.80151508913558e-19 4.811048040107879e-19 4.81402808864712e-19 4.810983953042519e-19 4.80153111090192e-19 4.78520493100146e-19 4.761524760350939e-19 4.73007403302552e-19 4.69034005250232e-19 4.641441621632639e-19 4.582209151473659e-19 4.51113659598942e-19 4.42623725615376e-19 4.3248354969878994e-19 4.2033744863643603e-19 4.0570957596801596e-19 3.8791900662407994e-19 3.6618067405396796e-19 3.39563713633326e-19 3.0691295600903997e-19 2.66683902905934e-19 2.16728035457814e-19 1.541705681302938e-19 7.53016609273464e-20 -2.4925061895138e-20 -1.54432203574626e-19 ] } }