{ "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 8.014423 7.973801 7.930931 7.885548 7.837339 7.785929 7.730863 7.67158 7.60738 7.537375 7.460407 7.374939 7.278856 7.169143 7.041283 6.88806 6.696858 6.44242 ] "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 8.014423000000001e-10 7.973801e-10 7.930931000000001e-10 7.885548e-10 7.837339e-10 7.785929000000001e-10 7.730863e-10 7.671579999999999e-10 7.60738e-10 7.537375000000001e-10 7.460407000000001e-10 7.374939000000001e-10 7.278856e-10 7.169143e-10 7.041283e-10 6.888060000000001e-10 6.696858e-10 6.442420000000001e-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 0.141092 0.140885 0.140504 0.139909 0.139052 0.137875 0.136303 0.134243 0.131574 0.128141 0.123738 0.118083 0.110779 0.101495 0.0926917 0.0873351 0.0902433 0.106395 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -4.2690636931864325e-34 8.613333556953215e-22 3.495452711833152e-21 6.415451646773568e-21 9.147899786483137e-21 1.1544243314681282e-20 1.3556545106873667e-20 1.5199384970309568e-20 1.6523728143296642e-20 1.759237994937024e-20 1.846476511939584e-20 1.918942960498368e-20 1.9802742815425922e-20 2.03300191413312e-20 2.0787600784231682e-20 2.118574167450048e-20 2.153069030095872e-20 2.1825330581523844e-20 2.207174534580288e-20 2.227089589976832e-20 2.242374354939264e-20 2.2531249600648323e-20 2.2594695794832004e-20 2.261536387324032e-20 2.260543037819136e-20 2.25722653221408e-20 2.251122239288832e-20 2.2415892883950722e-20 2.2278586347548162e-20 2.209001015928e-20 2.1838147994490242e-20 2.150809961060544e-20 2.1080478670513922e-20 2.0530451436593283e-20 1.9825013070455042e-20 1.891898219139264e-20 1.7748752387560323e-20 1.62612916128096e-20 1.4850847468220738e-20 1.399262553952301e-20 1.4458570544384066e-20 1.7046358157001602e-20 ] } }