{ "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" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" ] } "a" { "source-value" [ 12.4752 11.639315 11.121268 10.744878 10.449082 10.205379 9.99814 9.817859 9.658324 9.515249 9.385552 9.266945 9.157679 9.05639 8.961992 8.873607 8.790515 8.712116 8.63791 8.56747 8.500433 8.436484 8.375353 8.3168 8.276939 8.234986 8.190711 8.143842 8.094054 8.04096 7.98409 7.922865 7.856562 7.784263 7.704775 7.616506 7.517276 7.403969 7.27192 7.113678 6.916213 6.65344 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.24752e-09 1.1639315e-09 1.1121268000000002e-09 1.0744878e-09 1.0449082000000001e-09 1.0205379e-09 9.99814e-10 9.817859000000001e-10 9.658324000000001e-10 9.515249000000002e-10 9.385552e-10 9.266945e-10 9.157679e-10 9.056390000000001e-10 8.961992000000001e-10 8.873607e-10 8.790514999999999e-10 8.712116e-10 8.63791e-10 8.56747e-10 8.500432999999999e-10 8.436484000000001e-10 8.375353e-10 8.316800000000001e-10 8.276939000000001e-10 8.234986e-10 8.190711000000001e-10 8.143841999999999e-10 8.094054e-10 8.04096e-10 7.98409e-10 7.922865e-10 7.856562000000001e-10 7.784263e-10 7.704775e-10 7.616506e-10 7.517276e-10 7.403969e-10 7.27192e-10 7.113678e-10 6.916213e-10 6.65344e-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" [ 0.717042 1.0748 1.38923 1.67741 1.94678 2.19911 2.43716 2.66091 2.8711 3.06813 3.25244 3.4244 3.58353 3.72977 3.86357 3.98468 4.09243 4.1866 4.26694 4.33318 4.38506 4.42228 4.4452 4.45294 4.44904 4.43593 4.41096 4.37067 4.31061 4.22432 4.10294 3.93405 3.69971 3.37324 2.91374 2.25624 1.29125 -0.174676 -2.51436 -6.52369 -14.1649 -31.5668 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1488279285316736e-19 1.72201943203584e-19 2.225791826913984e-19 2.6875070854961283e-19 3.119085401841024e-19 3.5233626285674884e-19 3.9047607731489283e-19 4.263247792052928e-19 4.60000929597888e-19 4.915686155575105e-19 5.210983328554752e-19 5.48649362026752e-19 5.741447985935425e-19 5.975750294961216e-19 6.190121526824257e-19 6.384161137369345e-19 6.556795668260544e-19 6.707672640641281e-19 6.836391510356353e-19 6.942519689718144e-19 7.025640612805249e-19 7.085273626631424e-19 7.121995514780161e-19 7.134396361825152e-19 7.128147873004032e-19 7.107143337505344e-19 7.067136987283968e-19 7.002585291231936e-19 6.906358563386688e-19 6.768106742777856e-19 6.573634544545153e-19 6.30304293505824e-19 5.927588865739968e-19 5.404526264347393e-19 4.668326107089792e-19 3.614894978913792e-19 2.068810561608e-19 -2.7986180341486084e-20 -4.028448808274688e-19 -1.0452103599346753e-18 -2.269467161596992e-18 -5.057558895346944e-18 ] } }