{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.65803 8.07791 7.718375 7.457153 7.251865 7.08273 6.938902 6.813784 6.703063 6.603766 6.513755 6.431439 6.355606 6.28531 6.219796 6.158455 6.100787 6.046377 5.994876 5.94599 5.899465 5.855083 5.812657 5.77202 5.730938 5.688603 5.644936 5.59985 5.55325 5.505031 5.455077 5.403257 5.349426 5.293424 5.235066 5.174146 5.110429 5.043645 4.973485 4.899588 4.821534 4.738828 4.650879 4.556977 4.456257 4.347653 4.229823 4.101053 3.959103 3.800962 3.622457 3.417556 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.658030000000001e-10 8.07791e-10 7.718375e-10 7.457153e-10 7.251865e-10 7.08273e-10 6.938902e-10 6.813784e-10 6.703063000000001e-10 6.603766e-10 6.513755e-10 6.431439e-10 6.355606e-10 6.28531e-10 6.219796e-10 6.158455e-10 6.100787e-10 6.046377e-10 5.994876e-10 5.94599e-10 5.899465e-10 5.855083e-10 5.812657e-10 5.77202e-10 5.730938e-10 5.688603e-10 5.644936000000001e-10 5.59985e-10 5.55325e-10 5.505031e-10 5.455077e-10 5.403257e-10 5.349426e-10 5.293424e-10 5.235066e-10 5.174146000000001e-10 5.110429e-10 5.043645e-10 4.973485000000001e-10 4.899588e-10 4.821534e-10 4.738828e-10 4.650879e-10 4.556977e-10 4.456257e-10 4.3476530000000004e-10 4.229823e-10 4.1010530000000005e-10 3.9591029999999997e-10 3.8009620000000004e-10 3.622457e-10 3.417556e-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" [ 0.764982 1.00293 1.18256 1.35793 1.51442 1.65253 1.77488 1.8836 1.98034 2.07022 2.15609 2.23654 2.31085 2.37876 2.44018 2.4952 2.54391 2.58647 2.62305 2.65382 2.67896 2.6977 2.70846 2.71189 2.70823 2.69658 2.67573 2.64421 2.60026 2.54241 2.46858 2.37566 2.2599 2.11676 1.94076 1.72523 1.46204 1.14265 0.754009 0.280118 -0.297075 -0.999625 -1.85433 -2.89395 -4.16635 -5.71577 -7.60123 -9.88234 -12.6781 -16.1603 -20.7049 -26.7637 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.225636285830588e-19 1.60687101153762e-19 1.89467000030304e-19 2.17564371660762e-19 2.42636833806228e-19 2.64764495298402e-19 2.84367126415392e-19 3.0178599078024e-19 3.1728544753755598e-19 3.3168581112394797e-19 3.4544370188010597e-19 3.5833321290063602e-19 3.7023898746788997e-19 3.8111936898938403e-19 3.9095993787541193e-19 3.9977511371568e-19 4.07579316099894e-19 4.1439817985419795e-19 4.2025894198137e-19 4.2518883948418796e-19 4.2921671154206396e-19 4.3221919055418003e-19 4.33943132612364e-19 4.34492679197826e-19 4.339062825497819e-19 4.32039746771172e-19 4.28699208489282e-19 4.23649147738914e-19 4.16607581432484e-19 4.0733898960479396e-19 3.95510119515972e-19 3.8062269423284397e-19 3.6207589751765996e-19 3.39142341178584e-19 3.10944032420184e-19 2.76412319427582e-19 2.34244632597336e-19 1.8307271308400998e-19 1.208055601625706e-19 4.4879851436281196e-20 -4.759666235455499e-20 -1.6015758177622499e-19 -2.9709641977252197e-19 -4.636619069964299e-19 -6.6752286190659e-19 -9.15767313931818e-19 -1.217851309565982e-18 -1.5833254237243557e-18 -2.03125555835154e-18 -2.58916550584302e-18 -3.3172906989306595e-18 -4.28801747793858e-18 ] } }