{ "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" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 3.86277 3.60395 3.443544 3.327 3.235411 3.159952 3.095783 3.039962 2.990564 2.946263 2.906104 2.869379 2.835546 2.804184 2.774955 2.747588 2.721859 2.697584 2.674607 2.652796 2.632039 2.612239 2.59331 2.57518 2.562837 2.549847 2.536138 2.521625 2.506209 2.489769 2.47216 2.453202 2.432673 2.410286 2.385673 2.358342 2.327617 2.292532 2.251645 2.202647 2.141505 2.06014 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.86277e-10 3.60395e-10 3.443544e-10 3.327e-10 3.235411e-10 3.159952e-10 3.095783e-10 3.039962e-10 2.990564e-10 2.946263e-10 2.906104e-10 2.869379e-10 2.835546e-10 2.804184e-10 2.774955e-10 2.747588e-10 2.721859e-10 2.697584e-10 2.674607e-10 2.652796e-10 2.632039e-10 2.612239e-10 2.59331e-10 2.57518e-10 2.562837e-10 2.5498470000000003e-10 2.536138e-10 2.521625e-10 2.5062090000000004e-10 2.489769e-10 2.47216e-10 2.453202e-10 2.432673e-10 2.410286e-10 2.385673e-10 2.358342e-10 2.327617e-10 2.2925320000000002e-10 2.251645e-10 2.202647e-10 2.141505e-10 2.06014e-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" [ 5.37688 5.77377 5.77032 5.55519 5.13923 4.38569 3.19529 1.98915 1.50285 2.3668 5.20722 10.6294 19.1455 31.0764 46.4632 65.0051 86.0352 108.523 131.263 153.527 173.914 190.751 202.236 206.486 204.102 195.622 178.49 149.165 102.742 32.3749 -71.5008 -222.329 -439.032 -748.379 -1184.07 -1784.12 -2615.7 -3784.13 -5469.37 -8042.12 -12527.7 -23433.6 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.614711428847104e-19 9.250599307876417e-19 9.245071798534657e-19 8.900395542101952e-19 8.233954154913985e-19 7.026649984076353e-19 5.119418934676032e-19 3.1869696252643204e-19 2.40783113456928e-19 3.79203162610944e-19 8.342886143362177e-19 1.7030176173131521e-18 3.06744724935264e-18 4.978988153862912e-18 7.444225276755456e-18 1.0414965145276608e-17 1.3784358600585218e-17 1.7387301341907842e-17 2.103065097760704e-17 2.4597737006156158e-17 2.786409448298112e-17 3.056167925942208e-17 3.240177910841088e-17 3.3082704172250883e-17 3.270074526585216e-17 3.134209949141376e-17 2.85972505046592e-17 2.38988675641632e-17 1.646108303742336e-17 5.187030788073792e-18 -1.1455691012849664e-17 -3.5621032592584326e-17 -7.034068061830657e-17 -1.1990353372976832e-16 -1.897089271390656e-16 -2.858475352701696e-16 -4.1908133870265597e-16 -6.062844616067905e-16 -8.762896744504896e-16 -1.2884896645668097e-15 -2.0071588052396164e-15 -3.754476606117888e-15 ] } }