{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 8.27233 7.718054 7.374536 7.124952 6.928809 6.767209 6.629788 6.510244 6.404456 6.309583 6.223581 6.144932 6.072478 6.005313 5.942718 5.88411 5.829011 5.777025 5.727818 5.68111 5.636657 5.594253 5.553716 5.51489 5.488458 5.460639 5.43128 5.400201 5.367186 5.331979 5.294268 5.25367 5.209705 5.161763 5.109054 5.050523 4.984723 4.909588 4.822026 4.717095 4.586156 4.41191 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.272330000000001e-10 7.718054e-10 7.374536e-10 7.124952000000001e-10 6.928809000000001e-10 6.767209000000001e-10 6.629787999999999e-10 6.510244e-10 6.404456e-10 6.309583e-10 6.223581e-10 6.144932e-10 6.072478000000001e-10 6.005313e-10 5.942718e-10 5.884109999999999e-10 5.829011000000001e-10 5.777025000000001e-10 5.727818e-10 5.68111e-10 5.636657e-10 5.594253000000001e-10 5.553716e-10 5.51489e-10 5.488458e-10 5.460639e-10 5.43128e-10 5.400201e-10 5.367186000000001e-10 5.331978999999999e-10 5.294268e-10 5.25367e-10 5.209705e-10 5.161763e-10 5.109054e-10 5.050523e-10 4.984723e-10 4.909588000000001e-10 4.822026000000001e-10 4.717095e-10 4.586156e-10 4.41191e-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" [ 1.03854 1.55671 2.01211 2.4295 2.81965 3.18512 3.52989 3.85397 4.15839 4.44376 4.71071 4.95977 5.19025 5.40206 5.59584 5.77126 5.92732 6.06371 6.18007 6.27602 6.35116 6.40506 6.43826 6.44947 6.44383 6.42483 6.38867 6.33032 6.24332 6.11835 5.94255 5.69794 5.35853 4.88569 4.22016 3.26787 1.87021 -0.252994 -3.64171 -9.44869 -20.516 -45.7203 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6639245077656322e-19 2.4941243673655684e-19 3.223755600477888e-19 3.8924881002336004e-19 4.517577308838721e-19 5.1031247984424965e-19 5.655507231995712e-19 6.174740631264576e-19 6.6624752381685125e-19 7.119688380446209e-19 7.547389429368768e-19 7.946427538545216e-19 8.3156972061072e-19 8.655054236158848e-19 8.965524021737472e-19 9.246577844558208e-19 9.496613528000257e-19 9.71513439731117e-19 9.901563668907457e-19 1.0055292515673217e-18 1.0175680066960129e-18 1.0262037386821248e-18 1.0315229650631807e-18 1.0333190050550976e-18 1.0324153774409666e-18 1.0293712418614465e-18 1.0235777712006337e-18 1.0142290706182657e-18 1.0002901340173057e-18 9.802677327871681e-19 9.52101467793504e-19 9.129106254721153e-19 8.585311487855425e-19 7.827738294476353e-19 6.761441688035328e-19 5.235704913813696e-19 2.996406737986368e-19 -4.0534107200267524e-20 -5.834662621733568e-19 -1.5138470215186752e-18 -3.2870255552332798e-18 -7.325199575596224e-18 ] } }