{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Br" "Br" "Br" "Br" ] } "a" { "source-value" [ 4.95094 4.619209 4.413616 4.264241 4.146851 4.050135 3.967889 3.896343 3.83303 3.776248 3.724777 3.677706 3.634343 3.594145 3.556682 3.521605 3.488629 3.457516 3.428066 3.400111 3.373507 3.348128 3.323867 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.95094e-10 4.6192089999999997e-10 4.4136160000000006e-10 4.2642410000000003e-10 4.146851e-10 4.050135e-10 3.967889e-10 3.896343e-10 3.83303e-10 3.776248e-10 3.7247770000000003e-10 3.6777060000000005e-10 3.634343e-10 3.5941450000000004e-10 3.556682e-10 3.521605e-10 3.488629e-10 3.457516e-10 3.428066e-10 3.400111e-10 3.373507e-10 3.348128e-10 3.323867e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 2.66389 3.98038 5.14535 6.21146 7.20195 8.12857 9.00202 9.82396 10.5961 11.3218 12.0004 12.632 13.2169 13.7557 14.2468 14.6896 15.0834 15.4285 15.7229 15.9656 16.1555 16.2925 16.3769 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.2680223135462594e-19 6.377271830440919e-19 8.243759543751899e-19 9.951856075025638e-19 1.1538796009236299e-18 1.302340492183338e-18 1.442282610280068e-18 1.5739719165350639e-18 1.69768238315274e-18 1.81395234148212e-18 1.92267604786536e-18 2.0238695240688e-18 2.11758083539146e-18 2.20390611243138e-18 2.2825890069271198e-18 2.35353338828064e-18 2.4166271041275597e-18 2.4719182197669e-18 2.5190862998718597e-18 2.55797112677904e-18 2.5883964610586997e-18 2.6103462809445e-18 2.62386865173546e-18 ] } }