{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.3961 7.83353 7.484872 7.231553 7.032475 6.868458 6.728981 6.607648 6.500277 6.403984 6.316695 6.23687 6.163331 6.095161 6.031629 5.972144 5.916221 5.863457 5.813514 5.766107 5.720989 5.67795 5.636807 5.5974 5.557561 5.516507 5.474161 5.430439 5.385249 5.338489 5.290045 5.239793 5.187591 5.133283 5.07669 5.017613 4.955824 4.891061 4.823023 4.751362 4.675669 4.595465 4.510176 4.419115 4.321443 4.216124 4.101859 3.976985 3.839329 3.685972 3.512867 3.314166 3.080961 2.7987 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.396100000000001e-10 7.83353e-10 7.484872e-10 7.231553000000001e-10 7.032475000000001e-10 6.868458000000001e-10 6.728981e-10 6.607648000000001e-10 6.500277e-10 6.403984000000001e-10 6.316695e-10 6.23687e-10 6.163331e-10 6.095161e-10 6.031629e-10 5.972144e-10 5.916221e-10 5.863457e-10 5.813514e-10 5.766107000000001e-10 5.720989000000001e-10 5.67795e-10 5.636807000000001e-10 5.597400000000001e-10 5.557560999999999e-10 5.516507e-10 5.474161e-10 5.430439e-10 5.385249e-10 5.338489e-10 5.290045e-10 5.239793e-10 5.187591e-10 5.133283e-10 5.076690000000001e-10 5.017613e-10 4.955824e-10 4.891061e-10 4.823023e-10 4.751362e-10 4.675669e-10 4.595465e-10 4.5101760000000007e-10 4.419115e-10 4.3214430000000005e-10 4.216124e-10 4.1018590000000004e-10 3.976985e-10 3.8393290000000003e-10 3.6859720000000004e-10 3.512867e-10 3.3141660000000003e-10 3.080961e-10 2.7987000000000004e-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" [ 0.432805 0.595946 0.721581 0.822582 0.906672 0.978085 1.03995 1.09498 1.1431 1.18523 1.22212 1.25434 1.28371 1.31023 1.33332 1.35325 1.37025 1.38452 1.39624 1.40556 1.41261 1.41752 1.42039 1.42133 1.42032 1.41744 1.4145 1.40871 1.39952 1.38626 1.36813 1.34414 1.314 1.27721 1.2304 1.17131 1.09706 1.004 0.887354 0.742167 0.56105 0.331511 0.0440434 -0.324001 -0.803622 -1.43173 -2.27015 -3.41654 -5.03166 -7.3743 -10.9122 -16.5588 -26.3784 -45.4928 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.934300580783699e-20 9.548107563257639e-20 1.1561002177383539e-19 1.3179216599489879e-19 1.452648693102048e-19 1.56706493306589e-19 1.6661835905282997e-19 1.75435137069732e-19 1.8314481103253998e-19 1.8989478119158199e-19 1.95805210794408e-19 2.0096742390915598e-19 2.0567301668321398e-19 2.0992198911658198e-19 2.13621414964488e-19 2.1681455299604999e-19 2.1953825327384996e-19 2.2182455933056796e-19 2.23702310345616e-19 2.2519553896850397e-19 2.2632507349547398e-19 2.27111742222768e-19 2.27571566916726e-19 2.27722171520322e-19 2.27560351680288e-19 2.27098924809696e-19 2.266278848793e-19 2.25700224608214e-19 2.24227824281568e-19 2.22103338064884e-19 2.19198591827442e-19 2.1535497008247597e-19 2.105260097076e-19 2.0463160187111397e-19 1.9713181304735997e-19 1.87664551317054e-19 1.7576838980960398e-19 1.608585340536e-19 1.4216978448864358e-19 1.189082625925878e-19 8.989012005057e-20 5.3113917811397394e-20 7.05653063619156e-21 -5.191068315926339e-20 -1.2875443909683478e-19 -2.2938843521968197e-19 -3.6371812856751e-19 -5.47390055712636e-19 -8.061608082232439e-19 -1.18149311521062e-18 -1.74832718655348e-18 -2.65301224470792e-18 -4.22628561223056e-18 -7.28875011752352e-18 ] } }