{ "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 6.48725 6.05258 5.783188 5.587461 5.433643 5.306915 5.199148 5.105399 5.022439 4.948038 4.880594 4.818917 4.762098 4.709426 4.660338 4.614377 4.571167 4.530399 4.491811 4.455182 4.420321 4.387067 4.355278 4.32483 4.304102 4.282286 4.259262 4.234889 4.208999 4.181389 4.151816 4.119978 4.0855 4.047904 4.006568 3.960668 3.909066 3.850145 3.781478 3.69919 3.596505 3.45986 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.487250000000001e-10 6.05258e-10 5.783188000000001e-10 5.587461000000001e-10 5.433643e-10 5.306915e-10 5.199148e-10 5.105399e-10 5.022439e-10 4.948038000000001e-10 4.880594000000001e-10 4.818917e-10 4.762098e-10 4.709426e-10 4.660338000000001e-10 4.6143770000000005e-10 4.571167e-10 4.5303990000000004e-10 4.4918110000000003e-10 4.4551819999999997e-10 4.4203210000000007e-10 4.387067e-10 4.355278e-10 4.3248300000000007e-10 4.3041020000000003e-10 4.282286e-10 4.2592619999999997e-10 4.234889e-10 4.2089990000000003e-10 4.1813890000000003e-10 4.1518160000000005e-10 4.119978e-10 4.0855e-10 4.0479040000000003e-10 4.006568e-10 3.960668e-10 3.9090660000000005e-10 3.850145e-10 3.781478e-10 3.6991900000000004e-10 3.596505e-10 3.4598600000000003e-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" [ 1.21573 1.73632 2.12579 2.43674 2.6936 2.9102 3.09535 3.25504 3.39359 3.51422 3.61941 3.71113 3.79096 3.86019 3.91988 3.97093 4.01412 4.05009 4.0794 4.10254 4.11994 4.13198 4.139 4.14127 4.14018 4.13657 4.12991 4.11948 4.10438 4.08344 4.05512 4.01733 3.96725 3.90088 3.81249 3.69351 3.53062 3.30202 2.96957 2.46027 1.61557 0.0172453 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9478141832051841e-19 2.7818913102274564e-19 3.405891038730432e-19 3.904087858968192e-19 4.3156229457868803e-19 4.662654401852161e-19 4.95929740319328e-19 5.215148987768832e-19 5.437130558580673e-19 5.630401124347776e-19 5.798934083089728e-19 5.945885722749504e-19 6.073787482387969e-19 6.184706169845952e-19 6.280340092341505e-19 6.3621312088333445e-19 6.431329217085697e-19 6.488959510135873e-19 6.53591930689152e-19 6.572993673896833e-19 6.6008715470987515e-19 6.620161753613185e-19 6.631409033491201e-19 6.635045974420416e-19 6.633299601903744e-19 6.627515744302656e-19 6.616845248008128e-19 6.600134545853185e-19 6.575941678879105e-19 6.542392100439553e-19 6.497018458538496e-19 6.436472204038465e-19 6.3562351988688e-19 6.249898736546304e-19 6.108282345033792e-19 5.917655370691008e-19 5.6566768209288965e-19 5.290419245414016e-19 4.757775627829056e-19 3.941787074855616e-19 2.588428483265856e-19 2.7630016478682246e-21 ] } }