{ "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" [ "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" "Kr" ] } "a" { "source-value" [ 13.735 12.814699 12.244333 11.829932 11.504263 11.235948 11.007779 10.809292 10.633645 10.476121 10.333326 10.202741 10.08244 9.970922 9.866991 9.76968 9.678195 9.591879 9.510179 9.432625 9.358818 9.288411 9.221106 9.15664 9.112753 9.066565 9.017819 8.966216 8.9114 8.852945 8.790332 8.722924 8.649926 8.570326 8.482811 8.385629 8.276378 8.151629 8.006246 7.832024 7.614618 7.32531 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.3735e-09 1.2814698999999999e-09 1.2244332999999999e-09 1.1829932e-09 1.1504263e-09 1.1235948000000001e-09 1.1007779e-09 1.0809292e-09 1.0633645e-09 1.0476121e-09 1.0333326e-09 1.0202741e-09 1.008244e-09 9.970922e-10 9.866991e-10 9.76968e-10 9.678195000000001e-10 9.591879e-10 9.510179e-10 9.432625e-10 9.358818e-10 9.288411e-10 9.221106000000001e-10 9.15664e-10 9.112753e-10 9.066565000000001e-10 9.017818999999999e-10 8.966215999999999e-10 8.911400000000001e-10 8.852945e-10 8.790332e-10 8.722924000000001e-10 8.649926000000001e-10 8.570326e-10 8.482811e-10 8.385629e-10 8.276378e-10 8.151629e-10 8.006246000000001e-10 7.832024e-10 7.614618e-10 7.325310000000001e-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" [ 0.00549282 0.00865103 0.0114132 0.01398 0.0164675 0.0187949 0.0209803 0.0230343 0.0249635 0.0267717 0.0284611 0.0300326 0.0314861 0.032821 0.0340472 0.0351675 0.0361649 0.0370374 0.0377828 0.0383986 0.0388824 0.0392315 0.039443 0.0395142 0.0394784 0.0393731 0.0391715 0.0388317 0.0383114 0.0375527 0.0364757 0.0349669 0.0328628 0.0299196 0.0257635 0.0197973 0.0110209 -0.00234416 -0.0236072 -0.0600313 -0.129683 -0.28845 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.800467786262656e-22 1.3860478011839425e-21 1.828596220851456e-21 2.2398429158784e-21 2.6383843503024e-21 3.011274937027392e-21 3.3614146157370243e-21 3.690501693649345e-21 3.99959360733408e-21 4.289299183907136e-21 4.5599709022250885e-21 4.8117529581838086e-21 5.044629330017089e-21 5.258503887127681e-21 5.4549627843701766e-21 5.6344546311983996e-21 5.7942557273569924e-21 5.934045637521792e-21 6.053471882836224e-21 6.152133919145088e-21 6.229647224059392e-21 6.2855792098915206e-21 6.31946524542144e-21 6.3308727429615365e-21 6.3251369506590716e-21 6.308266030842048e-21 6.27596615016672e-21 6.221524188591936e-21 6.138162939011713e-21 6.016605798791616e-21 5.844051376731456e-21 5.6023149681851525e-21 5.265200985402624e-21 4.793648362368768e-21 4.12776773699808e-21 3.1718771214963843e-21 1.7657428320174722e-21 -3.7557583474145283e-22 -3.782290392254976e-21 -9.618074537623106e-21 -2.077750707152064e-20 -4.6214784626976e-20 ] } }