{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.34785 4.989524 4.767447 4.606097 4.479295 4.374825 4.285986 4.208703 4.140313 4.07898 4.023382 3.972537 3.925697 3.882277 3.841811 3.803922 3.768302 3.734694 3.702883 3.672687 3.64395 3.616536 3.59033 3.56523 3.548142 3.530158 3.511178 3.491086 3.469743 3.446983 3.422604 3.396358 3.367935 3.336942 3.302867 3.265028 3.22249 3.173917 3.11731 3.049475 2.964826 2.85218 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.34785e-10 4.989524000000001e-10 4.767447e-10 4.6060970000000003e-10 4.4792949999999997e-10 4.3748250000000005e-10 4.2859860000000007e-10 4.208703e-10 4.140313e-10 4.07898e-10 4.0233819999999997e-10 3.972537e-10 3.9256970000000003e-10 3.8822770000000006e-10 3.841811e-10 3.803922e-10 3.768302e-10 3.734694e-10 3.702883e-10 3.672687e-10 3.64395e-10 3.616536e-10 3.5903299999999997e-10 3.56523e-10 3.548142e-10 3.5301580000000004e-10 3.5111780000000005e-10 3.491086e-10 3.4697429999999997e-10 3.446983e-10 3.4226040000000004e-10 3.3963580000000003e-10 3.367935e-10 3.336942e-10 3.302867e-10 3.265028e-10 3.2224900000000004e-10 3.173917e-10 3.11731e-10 3.0494750000000005e-10 2.964826e-10 2.85218e-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" [ -0.369888 -0.589719 1.53194 3.36653 4.36978 5.08833 5.62609 6.00504 6.27486 6.47557 6.63186 6.75867 6.8656 6.95866 7.03978 7.10989 7.16978 7.22013 7.26153 7.29453 7.31957 7.33705 7.34733 7.35069 7.34905 7.34365 7.33359 7.31773 7.29462 7.26235 7.21839 7.15929 7.08029 6.97468 6.83273 6.63976 6.37277 5.99374 5.43594 4.51199 0.965807 -7.11262 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -5.926259059144705e-20 -9.448339946415552e-20 2.4544384524683524e-19 5.393775659221825e-19 7.001159354039425e-19 8.152403364915264e-19 9.013989864516672e-19 9.621134694968833e-19 1.0053433990793089e-18 1.0375006860353858e-18 1.0625411044418689e-18 1.0828583061702337e-18 1.099990380776448e-18 1.114900236409613e-18 1.1278970931575425e-18 1.1391299534459713e-18 1.1487253892279425e-18 1.1567923485136705e-18 1.1634253597237824e-18 1.1687125425724224e-18 1.1727243928309055e-18 1.175524997564064e-18 1.1771720351302466e-18 1.1777103664748353e-18 1.177447609509024e-18 1.176582434133792e-18 1.1749706444532674e-18 1.1724295923326785e-18 1.1687269621620096e-18 1.163556738206688e-18 1.1565135697816513e-18 1.1470447059527232e-18 1.1343875106484031e-18 1.1174669233561345e-18 1.0947240262238784e-18 1.0638068239723008e-18 1.0210303103735616e-18 9.603030099153792e-19 8.709335980071553e-19 7.229004891283392e-19 1.5473933956049856e-19 -1.1395673476634496e-18 ] } }