{ "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" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" ] } "a" { "source-value" [ 13.5851 12.674849 12.110713 11.700837 11.378724 11.11334 10.887663 10.691344 10.517615 10.361811 10.220576 10.091416 9.97243 9.862129 9.759333 9.663085 9.572599 9.487226 9.406418 9.329711 9.25671 9.187072 9.120502 9.05674 8.992279 8.925853 8.857335 8.786592 8.713474 8.637814 8.559432 8.478122 8.393658 8.305786 8.214218 8.11863 8.018653 7.913865 7.803778 7.687828 7.565356 7.435583 7.297584 7.150244 6.992208 6.821799 6.636915 6.434866 6.212135 5.964 5.683912 5.362407 4.985075 4.52837 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.35851e-09 1.2674849e-09 1.2110713e-09 1.1700837e-09 1.1378724e-09 1.1113340000000002e-09 1.0887663e-09 1.0691344000000002e-09 1.0517615e-09 1.0361811e-09 1.0220576e-09 1.0091416000000002e-09 9.972429999999999e-10 9.862129e-10 9.759333e-10 9.663085e-10 9.572599e-10 9.487226e-10 9.406418000000001e-10 9.329711e-10 9.256710000000001e-10 9.187072000000001e-10 9.120502e-10 9.05674e-10 8.992279000000001e-10 8.925853000000001e-10 8.857335000000001e-10 8.786592000000001e-10 8.713474e-10 8.637814000000001e-10 8.559431999999999e-10 8.478122000000001e-10 8.393658000000001e-10 8.305786e-10 8.214218000000001e-10 8.11863e-10 8.018653000000001e-10 7.913865e-10 7.803778000000001e-10 7.687828e-10 7.565356000000001e-10 7.435583e-10 7.297584e-10 7.150244e-10 6.992208e-10 6.821799000000001e-10 6.636915000000001e-10 6.434866000000001e-10 6.212135e-10 5.964e-10 5.683912e-10 5.362407e-10 4.985075e-10 4.52837e-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" [ 0.311972 0.405901 0.474017 0.527756 0.572002 0.609316 0.641258 0.668875 0.692912 0.713913 0.732304 0.748388 0.762424 0.77466 0.785253 0.794342 0.802073 0.808527 0.8138 0.81797 0.821113 0.82329 0.824557 0.824968 0.824523 0.823087 0.820485 0.816511 0.810938 0.803461 0.793724 0.781305 0.765661 0.746149 0.721988 0.692179 0.655477 0.610274 0.554554 0.485675 0.400138 0.293335 0.158973 -0.0115319 -0.230506 -0.515717 -0.893461 -1.40437 -2.11338 -3.13006 -4.65044 -7.05462 -11.1613 -19.015 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.99834248862248e-20 6.50325097917234e-20 7.59458961518778e-20 8.45558331653304e-20 9.16448239001268e-20 9.762318579223439e-20 1.027408583965572e-19 1.0716558960667499e-19 1.110167415818208e-19 1.1438147273088418e-19 1.1732803577847358e-19 1.199049766765992e-19 1.2215379180008158e-19 1.24114215129444e-19 1.258114008378402e-19 1.272676191804828e-19 1.285062619362282e-19 1.2954030673581178e-19 1.3038513447492e-19 1.3105324213129798e-19 1.3155680624736418e-19 1.31905600100586e-19 1.3210859588011378e-19 1.321744453397712e-19 1.321031484795582e-19 1.318730759149158e-19 1.31456189554749e-19 1.308194845603974e-19 1.299265915222692e-19 1.2872864405302739e-19 1.2716860466450158e-19 1.25178861502737e-19 1.226724163765074e-19 1.1954624932824659e-19 1.1567523036283918e-19 1.1089930203454858e-19 1.0501899335244179e-19 9.777667431377159e-20 8.88493461091236e-20 7.7813713671795e-20 6.410917539754919e-20 4.6997448293439e-20 2.5470282603688198e-20 -1.8476140725624598e-21 -3.69311327196804e-20 -8.262697271565779e-20 -1.4314823375902738e-19 -2.2500487994905797e-19 -3.3860080547629196e-19 -5.014908995018039e-19 -7.450826305818959e-19 -1.130274732574908e-18 -1.78823740650642e-18 -3.046538869551e-18 ] } }