{ "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" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" [ 12.0795 11.270133 10.768519 10.404071 10.117658 9.881686 9.681021 9.50646 9.351986 9.213449 9.087867 8.973023 8.867223 8.769148 8.677744 8.592163 8.511707 8.435795 8.363943 8.295738 8.230827 8.168907 8.109715 8.05302 7.995703 7.936638 7.875715 7.812812 7.747796 7.680522 7.610826 7.538528 7.463425 7.385291 7.303871 7.218877 7.12998 7.036805 6.938918 6.835819 6.726919 6.611529 6.488823 6.357813 6.217291 6.065768 5.901374 5.721717 5.52367 5.303035 5.053988 4.768114 4.432601 4.02651 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.20795e-09 1.1270133e-09 1.0768519e-09 1.0404071e-09 1.0117658e-09 9.881686e-10 9.681021e-10 9.506460000000002e-10 9.351986e-10 9.213449000000001e-10 9.087867e-10 8.973023e-10 8.867222999999999e-10 8.769148e-10 8.677744e-10 8.592162999999999e-10 8.511707e-10 8.435795e-10 8.363943000000001e-10 8.295738e-10 8.230826999999999e-10 8.168907000000001e-10 8.109715e-10 8.05302e-10 7.995703000000001e-10 7.936638000000001e-10 7.875715e-10 7.812812000000001e-10 7.747796000000001e-10 7.680522e-10 7.610826e-10 7.538528000000001e-10 7.463425e-10 7.385291e-10 7.303871e-10 7.218877000000001e-10 7.12998e-10 7.036805e-10 6.938918e-10 6.835819e-10 6.726919e-10 6.611529e-10 6.488823e-10 6.357813000000001e-10 6.217291000000001e-10 6.065768e-10 5.901374e-10 5.721717e-10 5.52367e-10 5.303035000000001e-10 5.053988000000001e-10 4.768114e-10 4.432601e-10 4.02651e-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" [ -2.66454e-15 0.00537602 0.0218169 0.0400421 0.0570967 0.0720535 0.0846133 0.0948671 0.103133 0.109803 0.115248 0.119771 0.123599 0.12689 0.129746 0.132231 0.134384 0.136223 0.137761 0.139004 0.139958 0.140629 0.141025 0.141154 0.141015 0.140565 0.139753 0.138525 0.136821 0.134578 0.131729 0.128202 0.123923 0.11881 0.112776 0.105721 0.0984604 0.0924462 0.0883752 0.0870826 0.089126 0.0944872 0.102756 0.113593 0.126357 0.138381 0.143397 0.132723 0.104043 0.0586201 -0.0112823 -0.19169 -0.892421 -3.65614 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -4.26906372835836e-34 8.613333627916679e-22 3.49545274063146e-21 6.415451699629139e-21 9.147899861850779e-21 1.15442434097919e-20 1.355654521856322e-20 1.5199385095534138e-20 1.65237282794322e-20 1.75923800943102e-20 1.84647652715232e-20 1.9189429763081398e-20 1.98027429785766e-20 2.0330019308826e-20 2.07876009554964e-20 2.1185741849045398e-20 2.15306904783456e-20 2.18253307613382e-20 2.20717455276474e-20 2.2270896083253597e-20 2.2423743734137197e-20 2.25312497862786e-20 2.2594695980985e-20 2.2615364059563598e-20 2.2593093804351e-20 2.2520995855820997e-20 2.2390899113140195e-20 2.2194151822485e-20 2.19211409240514e-20 2.15617727050452e-20 2.11053125820186e-20 2.05402248832068e-20 1.98546535015182e-20 1.9035460588554e-20 1.80687072075984e-20 1.6938371592311397e-20 1.577509522542936e-20 1.481151415420908e-20 1.415926804650768e-20 1.395217069479684e-20 1.4279559468188398e-20 1.513851840520848e-20 1.64633262203304e-20 1.8199605038596197e-20 2.0244623294233798e-20 2.2171080478955398e-20 2.29747322785698e-20 2.12645689394382e-20 1.66695263531262e-20 9.39197545027434e-21 -1.80762374377782e-21 -3.0712123897145996e-20 -1.429816073890914e-19 -5.85778207863276e-19 ] } }