{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.01847 8.414199 8.039695 7.767599 7.553764 7.377588 7.227772 7.097445 6.982115 6.878684 6.784924 6.699182 6.620192 6.546969 6.478728 6.414833 6.354764 6.298089 6.244444 6.193523 6.14506 6.098831 6.054638 6.01231 5.969518 5.925421 5.879936 5.832973 5.784433 5.734207 5.682173 5.628196 5.572124 5.51379 5.453003 5.389548 5.323178 5.253614 5.180533 5.10356 5.022257 4.936108 4.844497 4.746686 4.641774 4.528649 4.405914 4.271784 4.123924 3.9592 3.773264 3.559834 3.309343 3.00616 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.018470000000001e-10 8.414199e-10 8.039695e-10 7.767599e-10 7.553764e-10 7.377588000000001e-10 7.227772e-10 7.097445e-10 6.982115000000001e-10 6.878684e-10 6.784924e-10 6.699182e-10 6.620192e-10 6.546969e-10 6.478728e-10 6.414833e-10 6.354764000000001e-10 6.298089e-10 6.244444e-10 6.193523e-10 6.14506e-10 6.098831e-10 6.054638e-10 6.01231e-10 5.969518e-10 5.925421000000001e-10 5.879936e-10 5.832973e-10 5.784433e-10 5.734207e-10 5.682173e-10 5.628196e-10 5.572124e-10 5.51379e-10 5.453003e-10 5.389548e-10 5.323178000000001e-10 5.253614e-10 5.180533e-10 5.103560000000001e-10 5.022257e-10 4.936108000000001e-10 4.844497e-10 4.746686e-10 4.641774e-10 4.528649e-10 4.405914e-10 4.271784e-10 4.123924e-10 3.9592e-10 3.773264e-10 3.559834e-10 3.3093430000000004e-10 3.00616e-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" [ 0.0730921 0.500459 1.28605 2.07944 2.71091 3.18849 3.55398 3.84151 4.07454 4.26853 4.43343 4.5756 4.69913 4.8067 4.90017 4.98086 5.04977 5.1077 5.15533 5.19323 5.22194 5.24192 5.25361 5.25742 5.25333 5.2401 5.21614 5.17961 5.12836 5.05991 4.97141 4.85958 4.72073 4.5508 4.34543 4.10029 3.81162 3.47731 3.094 2.65289 2.13692 1.51862 0.745267 -0.267081 -1.64367 -3.55242 -6.20813 -9.89515 -15.091 -22.797 -34.9818 -55.2094 -90.6379 -160.657 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1710645474999138e-20 8.01823716075006e-20 2.0604792601556996e-19 3.3316301798049597e-19 4.34335665887694e-19 5.108524175742659e-19 5.69410371370332e-19 6.15477756127734e-19 6.528132782298359e-19 6.83893902752802e-19 7.10313795447462e-19 7.330919406530399e-19 7.52883628612842e-19 7.7011824266477995e-19 7.85093787662778e-19 7.980217509225239e-19 8.090623501074179e-19 8.1834375934818e-19 8.25974926655922e-19 8.320471760987819e-19 8.366470252149959e-19 8.39848174129728e-19 8.417211186148739e-19 8.423315479124279e-19 8.416762576691219e-19 8.395565779823399e-19 8.35717762767276e-19 8.29865011523274e-19 8.216538562740239e-19 8.10686957214294e-19 7.965076940033939e-19 7.78590552705372e-19 7.563443301422819e-19 7.291185426007199e-19 6.96214641068262e-19 6.56938883062386e-19 6.10688850168708e-19 5.57126483117454e-19 4.957134505596e-19 4.25039837057226e-19 3.4237232927272796e-19 2.43309747992508e-19 1.194049373491278e-19 -4.27910937585354e-20 -2.63344966800678e-19 -5.6916043181542795e-19 -9.946520826834419e-19 -1.5853778119925098e-18 -2.4178447583693998e-18 -3.6524820725298e-18 -5.60470225752612e-18 -8.84552106571596e-18 -1.452179255348286e-17 -2.57400891488538e-17 ] } }