{ "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 11.7468 10.959723 10.471924 10.117512 9.838987 9.609514 9.414376 9.244622 9.094402 8.959681 8.837557 8.725876 8.62299 8.527615 8.438729 8.355505 8.277264 8.203444 8.13357 8.067243 8.00412 7.943906 7.886344 7.83121 7.793676 7.754173 7.712484 7.66835 7.621469 7.571475 7.517926 7.460276 7.397844 7.329767 7.254919 7.171805 7.078368 6.971677 6.847338 6.698336 6.5124 6.26497 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.1746800000000001e-09 1.0959723e-09 1.0471924e-09 1.0117512e-09 9.838987e-10 9.609514000000001e-10 9.414376e-10 9.244622e-10 9.094402000000001e-10 8.959681e-10 8.837557e-10 8.725875999999999e-10 8.62299e-10 8.527615000000001e-10 8.438729000000001e-10 8.355505000000001e-10 8.277264000000001e-10 8.203443999999999e-10 8.13357e-10 8.067243e-10 8.00412e-10 7.943906000000001e-10 7.886344000000001e-10 7.83121e-10 7.793676e-10 7.754173e-10 7.712484e-10 7.668350000000001e-10 7.621469e-10 7.571475e-10 7.517926e-10 7.460276e-10 7.397844000000001e-10 7.329767000000001e-10 7.254919e-10 7.171805000000001e-10 7.078368e-10 6.971677e-10 6.847338e-10 6.698336000000001e-10 6.5124e-10 6.26497e-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" [ 0.165478 0.245938 0.31079 0.364804 0.41175 0.455377 0.494024 0.528429 0.559133 0.586551 0.611008 0.632767 0.652048 0.66903 0.68387 0.696699 0.707635 0.71681 0.724858 0.7313 0.736207 0.739644 0.741667 0.742331 0.742007 0.740938 0.738945 0.735801 0.731213 0.724794 0.716283 0.705589 0.691086 0.671469 0.644836 0.608329 0.557463 0.484843 0.377452 0.210424 -0.0619543 -0.581131 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.651249828567424e-20 3.9403611376631044e-20 4.9794047197843207e-20 5.844804399743233e-20 6.596962236144001e-20 7.295943830500416e-20 7.915137029140992e-20 8.466365895527233e-20 8.958298205177664e-20 9.397582991068609e-20 9.789427327217665e-20 1.0138044938137536e-19 1.0446960612393984e-19 1.071904224613824e-19 1.095680525666496e-19 1.1162348495347392e-19 1.133756253059808e-19 1.148456223555648e-19 1.1613505409998464e-19 1.17167176279104e-19 1.1795336434693056e-19 1.1850403245149952e-19 1.1882815278188735e-19 1.1893453730950848e-19 1.1888262678699457e-19 1.1871135410623105e-19 1.183920403057056e-19 1.178883159761261e-19 1.1715323734250305e-19 1.1612480016961154e-19 1.1476118764764864e-19 1.1304781996936514e-19 1.1072418321621888e-19 1.0758119333919552e-19 1.0331411634501889e-19 9.746505015546432e-20 8.931541855610305e-20 7.768041193585345e-20 6.047447698742016e-20 3.371364132552192e-20 -9.926173101802945e-21 -9.310745018221248e-20 ] } }