{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.06289 5.656655 5.404886 5.221963 5.078208 4.959769 4.859052 4.771437 4.693903 4.62437 4.561338 4.503695 4.450593 4.401367 4.35549 4.312535 4.272153 4.234052 4.197988 4.163754 4.131175 4.100096 4.070386 4.04193 4.022557 4.002169 3.980651 3.957873 3.933676 3.907872 3.880233 3.850478 3.818255 3.783118 3.744487 3.701589 3.653363 3.598296 3.53412 3.457215 3.361247 3.23354 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.062890000000001e-10 5.656655e-10 5.404886e-10 5.221963e-10 5.078208000000001e-10 4.959769e-10 4.859052000000001e-10 4.771437e-10 4.693903e-10 4.62437e-10 4.5613380000000003e-10 4.5036949999999996e-10 4.450593e-10 4.4013669999999997e-10 4.35549e-10 4.3125349999999996e-10 4.2721530000000005e-10 4.234052e-10 4.1979879999999997e-10 4.163754e-10 4.131175e-10 4.100096e-10 4.0703860000000004e-10 4.04193e-10 4.022557e-10 4.0021690000000003e-10 3.980651e-10 3.9578730000000005e-10 3.933676e-10 3.907872e-10 3.8802330000000004e-10 3.850478e-10 3.8182550000000003e-10 3.783118e-10 3.744487e-10 3.701589e-10 3.653363e-10 3.598296e-10 3.5341200000000004e-10 3.4572150000000003e-10 3.361247e-10 3.23354e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0.000408055 1.92825 2.14223 2.31978 2.47068 2.60083 2.71414 2.81339 2.90059 2.97731 3.04476 3.10393 3.15562 3.20051 3.23914 3.27202 3.29956 3.32211 3.34 3.35352 3.3629 3.36839 3.37018 3.36931 3.36647 3.35755 3.34404 3.32963 3.3123 3.28932 3.25871 3.21816 3.16446 3.09301 2.99696 2.86577 2.68234 2.41725 2.01538 1.36074 0.162271 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 6.53776181000544e-23 3.0893970690576004e-19 3.432230822376384e-19 3.7166972813994243e-19 3.9584657334781446e-19 4.1669890206752647e-19 4.348531653578112e-19 4.507547683192512e-19 4.647257484526272e-19 4.770176474874048e-19 4.878243287947008e-19 4.973044078599745e-19 5.055860588128896e-19 5.127782296636608e-19 5.189674379498112e-19 5.242353946790016e-19 5.286477890926848e-19 5.322606973725888e-19 5.351269913472e-19 5.372931341385216e-19 5.38795975808832e-19 5.396755707736513e-19 5.399623603887744e-19 5.398229710227648e-19 5.393679528624577e-19 5.37938811316704e-19 5.357742707020033e-19 5.3346553419143045e-19 5.306889621075841e-19 5.270071602329857e-19 5.221028975967169e-19 5.156060713993728e-19 5.070023829456768e-19 4.955548309900609e-19 4.801659245472768e-19 4.591469694590016e-19 4.2975824370366724e-19 3.8728614366288005e-19 3.228994718027904e-19 2.180145814987392e-19 2.5998680243383682e-20 ] } }