{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 9.37431 8.746197 8.356917 8.074085 7.851813 7.668686 7.512959 7.377489 7.257609 7.150097 7.052638 6.963513 6.881407 6.805294 6.734361 6.667945 6.605506 6.546595 6.490833 6.437902 6.387528 6.339475 6.293539 6.24954 6.219587 6.188062 6.154792 6.119573 6.08216 6.042263 5.999529 5.953522 5.9037 5.849372 5.789642 5.723314 5.648748 5.563605 5.464379 5.34547 5.197087 4.99963 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.37431e-10 8.746197e-10 8.356917e-10 8.074085e-10 7.851813e-10 7.668686e-10 7.512959e-10 7.377489e-10 7.257609000000001e-10 7.150097e-10 7.052638e-10 6.963513e-10 6.881407000000001e-10 6.805294e-10 6.734361e-10 6.667945e-10 6.605506e-10 6.546595e-10 6.490833e-10 6.437902000000001e-10 6.387528e-10 6.339475e-10 6.293539e-10 6.24954e-10 6.219587e-10 6.188062000000001e-10 6.154792e-10 6.119573e-10 6.082160000000001e-10 6.042263000000001e-10 5.999529e-10 5.953522000000001e-10 5.9037e-10 5.849372e-10 5.789642e-10 5.723314000000001e-10 5.648748e-10 5.563605e-10 5.464379e-10 5.34547e-10 5.197087e-10 4.99963e-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" [ 0.600841 0.886409 1.1163 1.31086 1.4802 1.62938 1.76169 1.87958 1.9857 2.08083 2.16588 2.24174 2.30913 2.36867 2.42086 2.46616 2.50495 2.53758 2.56538 2.58765 2.60462 2.61651 2.62352 2.62581 2.62469 2.62099 2.61429 2.60387 2.58851 2.56688 2.53723 2.49716 2.44337 2.37119 2.27382 2.14104 1.95704 1.696 1.3111 0.715306 -0.282859 -2.18243 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.626534030180928e-20 1.4201837762667072e-19 1.78850976179904e-19 2.100229245141888e-19 2.37154183410816e-19 2.610554542399104e-19 2.822538531097152e-19 3.0114191329232644e-19 3.1814421159225603e-19 3.3338571778592645e-19 3.470122299458304e-19 3.591663417912192e-19 3.6996341003879046e-19 3.795027696390336e-19 3.878645294229888e-19 3.951223895152128e-19 4.0133723262729603e-19 4.0656513494096647e-19 4.1101918594679045e-19 4.1458723328131204e-19 4.1730612700680964e-19 4.192111150089408e-19 4.2033424082012163e-19 4.2070113926628483e-19 4.2052169548475523e-19 4.199288901350592e-19 4.188554317991232e-19 4.1718596376024966e-19 4.147250204707008e-19 4.1125951243991037e-19 4.0650905875923846e-19 4.0008913703969283e-19 3.914710289964096e-19 3.799065181474752e-19 3.6430612439074564e-19 3.430324232197632e-19 3.135523733970432e-19 2.7172915488768e-19 2.10061376753088e-19 1.1460465499179648e-19 -4.531900767828673e-20 -3.4966383225325445e-19 ] } }