{ "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" [ 1.94781419925282e-19 2.78189133314688e-19 3.4058910667908595e-19 3.9040878911331597e-19 4.3156229813424e-19 4.6626544402668e-19 4.959297444051899e-19 5.21514903073536e-19 5.437130603376059e-19 5.630401170735479e-19 5.79893413086594e-19 5.945885771736419e-19 6.07378753242864e-19 6.184706220800459e-19 6.28034014408392e-19 6.3621312612496195e-19 6.43132927007208e-19 6.48895956359706e-19 6.535919360739599e-19 6.57299372805036e-19 6.6008716014819595e-19 6.620161808155321e-19 6.631409088126e-19 6.635046029085179e-19 6.633299656554119e-19 6.627515798905379e-19 6.6168453025229395e-19 6.60013460023032e-19 6.57594173305692e-19 6.54239215434096e-19 6.497018512066079e-19 6.43647225706722e-19 6.356235251236499e-19 6.249898788037919e-19 6.10828239535866e-19 5.91765541944534e-19 5.65667686753308e-19 5.29041928900068e-19 4.75777566702738e-19 3.9417871073311797e-19 2.5884285045913797e-19 2.7630016706320202e-21 ] } }