{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "I" "I" ] } "a" { "source-value" [ 8.56758 7.99352 7.637741 7.379249 7.176105 7.008737 6.866412 6.742601 6.633037 6.534777 6.445706 6.36425 6.28921 6.219648 6.154818 6.094118 6.037052 5.983211 5.932248 5.883872 5.837833 5.793915 5.751932 5.71172 5.684345 5.655533 5.625127 5.592938 5.558745 5.522282 5.483226 5.441178 5.395644 5.345992 5.291401 5.230782 5.162634 5.084818 4.994131 4.885456 4.749844 4.56938 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.56758e-10 7.993520000000001e-10 7.637741e-10 7.379249e-10 7.176105e-10 7.008737e-10 6.866412000000001e-10 6.742601e-10 6.633037e-10 6.534777e-10 6.445706000000001e-10 6.36425e-10 6.28921e-10 6.219648000000001e-10 6.154818e-10 6.094118e-10 6.037052e-10 5.983211e-10 5.932248e-10 5.883872e-10 5.837833e-10 5.793915000000001e-10 5.751932e-10 5.71172e-10 5.684345000000001e-10 5.655533e-10 5.625127e-10 5.592938e-10 5.558745000000001e-10 5.522282e-10 5.483226e-10 5.441178e-10 5.395644e-10 5.345992e-10 5.291401e-10 5.230782e-10 5.162634e-10 5.084818e-10 4.994131000000001e-10 4.885456e-10 4.749844000000001e-10 4.56938e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0.016936 0.0722786 0.15602 0.251545 0.347271 0.43755 0.520874 0.597326 0.667427 0.731673 0.790405 0.843826 0.892051 0.935154 0.973202 1.00628 1.03447 1.05792 1.07674 1.09111 1.10117 1.10708 1.10902 1.10808 1.10497 1.09921 1.09014 1.07696 1.0586 1.03366 1.00026 0.9558 0.896645 0.817518 0.710525 0.563752 0.359105 0.0623978 -0.388584 -1.12511 -2.48533 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.71344632498688e-21 1.1580308310415489e-20 2.49971596377216e-20 4.030195180791361e-20 5.563894772818368e-20 7.0103238043104e-20 8.345321451825791e-20 9.57021752195981e-20 1.0693359354906817e-19 1.1722693746705984e-19 1.266368411963424e-19 1.3519582892231807e-19 1.4292232567612608e-19 1.4982818756476033e-19 1.5592414917158018e-19 1.6122382899786241e-19 1.657403648918976e-19 1.694974690676736e-19 1.725127654680192e-19 1.7481509327210882e-19 1.7642688295263361e-19 1.7737376933552643e-19 1.776845915999616e-19 1.775339869976064e-19 1.770357100685376e-19 1.761128563349568e-19 1.7465968213989123e-19 1.725480133536768e-19 1.69606417077888e-19 1.6561058858561282e-19 1.602593186721408e-19 1.53136041416064e-19 1.436583656157216e-19 1.3098082266831744e-19 1.13838654349392e-19 9.032302743292417e-20 5.75349635412384e-20 9.997229634935426e-21 -6.225802000169472e-20 -1.8026249378282882e-19 -3.981937620972864e-19 ] } }