{ "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" [ 7.73865 7.220132 6.898775 6.665292 6.481803 6.330629 6.202073 6.090241 5.991278 5.902525 5.822071 5.748496 5.680716 5.617885 5.559327 5.5045 5.452956 5.404324 5.358292 5.314596 5.273012 5.233343 5.195422 5.1591 5.122381 5.084541 5.045511 5.005213 4.963561 4.920462 4.875812 4.829495 4.781381 4.731325 4.679164 4.624713 4.567762 4.50807 4.44536 4.37931 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.73865e-10 7.220132000000001e-10 6.898775e-10 6.665292e-10 6.481803e-10 6.330629000000001e-10 6.202073e-10 6.090241e-10 5.991278000000001e-10 5.902525e-10 5.822071e-10 5.748496e-10 5.680716000000001e-10 5.617885e-10 5.559327e-10 5.5045e-10 5.452956e-10 5.404324e-10 5.358292e-10 5.314596e-10 5.273012e-10 5.233343e-10 5.195422e-10 5.159099999999999e-10 5.122381e-10 5.084541e-10 5.045511e-10 5.005213e-10 4.963561e-10 4.920462e-10 4.875812e-10 4.829495e-10 4.781381e-10 4.731325e-10 4.679164000000001e-10 4.624713e-10 4.5677620000000003e-10 4.5080700000000004e-10 4.44536e-10 4.3793100000000007e-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" [ 0.00866943 0.012995 0.0167966 0.0202809 0.0235377 0.0265885 0.0294666 0.0321719 0.0347132 0.0370954 0.0393238 0.0414029 0.0433269 0.0450951 0.0467127 0.048177 0.0494798 0.0506183 0.0515897 0.0523906 0.0530179 0.0534679 0.053745 0.0538386 0.053733 0.0533797 0.0527137 0.0516568 0.0500996 0.0479063 0.0449018 0.0408577 0.0354736 0.0283544 0.0189626 0.00657262 -0.00980209 -0.031568 -0.0607021 -0.100037 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.388995817609862e-21 2.0820285358829997e-21 2.6911120050644397e-21 3.24935840964906e-21 3.77115529581018e-21 4.2599473433108996e-21 4.72106980034244e-21 5.15450664513846e-21 5.56166779313688e-21 5.94333831088836e-21 6.30036735200892e-21 6.63347589598386e-21 6.94173468036546e-21 7.225031552789339e-21 7.48419964510518e-21 7.718806369621799e-21 7.92753794149932e-21 8.10994575128022e-21 8.26558118950698e-21 8.39389951612404e-21 8.49440405637486e-21 8.56650200490486e-21 8.610898319433e-21 8.62589469272724e-21 8.6089757074722e-21 8.55237080699298e-21 8.445665843168579e-21 8.27633179472112e-21 8.02684084927464e-21 7.67543544813942e-21 7.19406147845412e-21 6.546125225898179e-21 5.6834973043862394e-21 4.54287571510896e-21 3.0381434639888396e-21 1.053049818816108e-21 -1.5704679562365057e-21 -5.057751198211199e-21 -9.725548625473139e-21 -1.60276943935458e-20 ] } }