{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Au" "Au" ] } "a" { "source-value" [ 4.94717 4.615691 4.410253 4.260992 4.14369 4.047047 3.964864 3.893372 3.830106 3.773368 3.721936 3.674901 3.63157 3.591403 3.553968 3.518918 3.485967 3.454877 3.42545 3.397516 3.370932 3.345572 3.32133 3.29811 3.282303 3.265666 3.248108 3.229522 3.209778 3.188723 3.166171 3.141891 3.115599 3.086928 3.055406 3.020402 2.981052 2.936119 2.883754 2.821001 2.742695 2.63849 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.94717e-10 4.615691e-10 4.4102530000000003e-10 4.260992e-10 4.1436900000000003e-10 4.047047e-10 3.9648640000000003e-10 3.893372e-10 3.830106e-10 3.7733680000000003e-10 3.721936e-10 3.674901e-10 3.63157e-10 3.591403e-10 3.553968e-10 3.518918e-10 3.485967e-10 3.4548770000000006e-10 3.4254500000000003e-10 3.3975160000000003e-10 3.370932e-10 3.345572e-10 3.3213300000000005e-10 3.29811e-10 3.282303e-10 3.265666e-10 3.2481080000000004e-10 3.229522e-10 3.2097780000000003e-10 3.188723e-10 3.166171e-10 3.1418910000000005e-10 3.1155990000000003e-10 3.086928e-10 3.055406e-10 3.020402e-10 2.9810520000000004e-10 2.936119e-10 2.883754e-10 2.821001e-10 2.742695e-10 2.63849e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0565563 0.143927 0.359028 0.674327 1.06659 1.52423 2.01954 2.54995 2.93874 3.00498 3.08946 3.16976 3.24448 3.31318 3.37557 3.43144 3.48068 3.52323 3.55908 3.58825 3.61079 3.62677 3.63629 3.63943 3.63788 3.63273 3.62308 3.60777 3.58531 3.55372 3.5104 3.45179 3.373 3.26712 3.12412 2.92903 2.65853 2.27706 1.72337 0.875771 -0.515208 -3.07318 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.061318161895103e-21 2.3059647450188162e-20 5.752262678125825e-20 1.0803909541742017e-19 1.708865561979072e-19 2.442085670721984e-19 3.2356597727704323e-19 4.08547027420896e-19 4.708380522609792e-19 4.814508701971585e-19 4.949860582896768e-19 5.078515365547009e-19 5.198230002653184e-19 5.308299536502144e-19 5.408259335873857e-19 5.497772943677952e-19 5.576664120486144e-19 5.644836735701184e-19 5.702274767556864e-19 5.7490102595856e-19 5.785123320618433e-19 5.810726103018816e-19 5.825978824448832e-19 5.831009659038145e-19 5.828526285275904e-19 5.820275075678785e-19 5.804814071288064e-19 5.780284747223617e-19 5.744299860320449e-19 5.693687100869377e-19 5.624280809656321e-19 5.530377237911233e-19 5.404141741958401e-19 5.234503281348096e-19 5.0053920245736965e-19 4.692823387621824e-19 4.259434611695424e-19 3.6482522961588484e-19 2.761143122988096e-19 1.4031398213746369e-19 -8.254542124491264e-20 -4.923777147510144e-19 ] } }