{ "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" [ 6.11664 5.706803 5.452802 5.268256 5.123226 5.003738 4.902128 4.813735 4.735514 4.665364 4.601773 4.54362 4.490046 4.440384 4.3941 4.350765 4.310024 4.271585 4.235201 4.200665 4.167796 4.136442 4.106469 4.07776 4.048737 4.018828 3.987979 3.956127 3.923206 3.889141 3.853849 3.81724 3.77921 3.739646 3.698418 3.65538 3.610366 3.563185 3.513619 3.461413 3.40627 3.347841 3.285707 3.219368 3.148213 3.071487 2.988244 2.897272 2.796988 2.685266 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.116640000000001e-10 5.706803e-10 5.452802000000001e-10 5.268256000000001e-10 5.123226e-10 5.003738000000001e-10 4.902128000000001e-10 4.813735e-10 4.735514e-10 4.665364e-10 4.6017729999999997e-10 4.54362e-10 4.4900460000000007e-10 4.440384e-10 4.3941e-10 4.3507650000000003e-10 4.3100240000000005e-10 4.271585e-10 4.2352010000000003e-10 4.200665e-10 4.167796e-10 4.136442e-10 4.1064689999999997e-10 4.07776e-10 4.048737e-10 4.0188280000000003e-10 3.987979e-10 3.956127e-10 3.9232060000000003e-10 3.889141e-10 3.853849e-10 3.8172400000000004e-10 3.7792100000000003e-10 3.7396460000000004e-10 3.6984180000000004e-10 3.6553800000000005e-10 3.6103660000000003e-10 3.563185e-10 3.513619e-10 3.461413e-10 3.40627e-10 3.347841e-10 3.285707e-10 3.219368e-10 3.148213e-10 3.071487e-10 2.988244e-10 2.8972720000000003e-10 2.796988e-10 2.685266e-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" [ 0.0202465 0.0293647 0.034643 0.0369872 0.0369014 0.0471886 0.116932 0.243326 0.434777 0.690835 1.00393 1.36137 1.74721 2.1439 2.53409 2.90223 3.23587 3.52644 3.76951 3.96445 4.11378 4.22188 4.29307 4.33096 4.24234 4.09342 3.88561 3.61735 3.28894 2.91265 2.57109 2.60495 3.43275 3.74966 2.87327 2.3012 2.52069 3.25271 2.67645 0.176136 -2.03415 -3.29554 -3.68933 -0.496813 -2.93421 -3.98761 -4.8938 -6.10848 -7.78382 -10.1772 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.2438469220281e-21 4.70474362044198e-21 5.5504205131662e-21 5.926002759708479e-21 5.91225608418876e-21 7.560447231117239e-21 1.8734571816688797e-20 3.8985123164468397e-20 6.96589550400618e-20 1.1068396949493898e-19 1.6084731881716198e-19 2.1811552042285797e-19 2.7993390366911397e-19 3.4349064856325997e-19 4.0600597864530597e-19 4.649885092493819e-19 5.184435304661579e-19 5.64997976920296e-19 6.03942084362934e-19 6.351749156661299e-19 6.59100219341652e-19 6.764197487551919e-19 6.878256442126379e-19 6.93896291478864e-19 6.796978021483561e-19 6.55838187714828e-19 6.22543355083674e-19 5.7956336469999e-19 5.26946281862796e-19 4.6665797730201e-19 4.1193403219110595e-19 4.1735900227383e-19 5.4998718403635e-19 6.007617637444439e-19 4.6034860571731805e-19 3.6869288701608e-19 4.03859061955746e-19 5.21141595917814e-19 4.2881456520692997e-19 2.8220098360622395e-20 -3.2590676000510997e-19 -5.280037184412359e-19 -5.91095832111522e-19 -7.95982180067442e-20 -4.70112270124914e-19 -6.38885556750474e-19 -7.840732011469199e-19 -9.78686392525632e-19 -1.247105452726188e-18 -1.6305672039544798e-18 ] } }