{ "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" [ "I" "I" "I" "I" "I" "I" "I" "I" ] } "a" { "source-value" [ 17.9474 16.744851 15.999559 15.458065 15.032517 14.681912 14.383767 14.124405 13.894889 13.689053 13.502465 13.33183 13.174634 13.028915 12.893109 12.765953 12.646411 12.533623 12.426866 12.325527 12.229084 12.137084 12.049137 11.9649 11.879741 11.791984 11.701466 11.608007 11.511409 11.411456 11.307904 11.200485 11.0889 10.972811 10.85184 10.725559 10.593479 10.455042 10.309606 10.156424 9.994625 9.823182 9.640871 9.44622 9.237438 9.01231 8.768058 8.50113 8.206879 7.879067 7.509041 7.0843 6.585806 5.98245 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.79474e-09 1.6744851000000002e-09 1.5999559e-09 1.5458065e-09 1.5032517e-09 1.4681912e-09 1.4383767000000001e-09 1.4124405e-09 1.3894889e-09 1.3689053e-09 1.3502465e-09 1.333183e-09 1.3174634e-09 1.3028915e-09 1.2893109e-09 1.2765953e-09 1.2646411e-09 1.2533623e-09 1.2426866000000001e-09 1.2325526999999999e-09 1.2229084e-09 1.2137084e-09 1.2049137e-09 1.19649e-09 1.1879741e-09 1.1791984e-09 1.1701466e-09 1.1608007000000002e-09 1.1511409e-09 1.1411456e-09 1.1307904000000001e-09 1.1200485e-09 1.10889e-09 1.0972811e-09 1.085184e-09 1.0725559e-09 1.0593479e-09 1.0455042e-09 1.0309606000000001e-09 1.0156424e-09 9.994625e-10 9.823182e-10 9.640871e-10 9.44622e-10 9.237437999999999e-10 9.01231e-10 8.768058e-10 8.50113e-10 8.206879000000001e-10 7.879067e-10 7.509041e-10 7.0843e-10 6.585806e-10 5.98245e-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 0.000514176 0.00821071 0.0261449 0.0532343 0.0859622 0.120768 0.15503 0.187151 0.216329 0.242287 0.265051 0.284807 0.30181 0.316328 0.328618 0.338911 0.347408 0.354281 0.359677 0.363717 0.366504 0.368124 0.368651 0.368087 0.366266 0.362961 0.357897 0.350741 0.341081 0.328409 0.312098 0.291367 0.265235 0.232464 0.191482 0.140273 0.0762294 -0.0034242 -0.101309 -0.222821 -0.373534 -0.560437 -0.792891 -1.08498 -1.46077 -1.96349 -2.66675 -3.70066 -5.27744 -7.78437 -12.0666 -20.1004 -36.8461 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 8.23800772963584e-23 1.3155007710550138e-21 4.188874787826659e-21 8.52907515873462e-21 1.377266282472348e-20 1.9349166773491198e-20 2.4838544356902e-20 2.99848959229734e-20 3.46597269056586e-20 3.8818657012195796e-20 4.2465851901833397e-20 4.563111205996379e-20 4.8355292990754e-20 5.06813330279952e-20 5.26504081111812e-20 5.42995285205574e-20 5.56608980064672e-20 5.67620740070154e-20 5.76266085187218e-20 5.82738878788578e-20 5.87204145067536e-20 5.89799671214616e-20 5.90644018300734e-20 5.89740390679158e-20 5.868228270286439e-20 5.815276332532739e-20 5.73414210778698e-20 5.61949034785794e-20 5.46472008501354e-20 5.26169226195306e-20 5.00036123118132e-20 4.6682139931867793e-20 4.2495331951898996e-20 3.72448389046176e-20 3.06787986231588e-20 2.24742122981082e-20 1.221329635038396e-20 -5.486173230142799e-22 -1.6231491261390598e-20 -3.5699859976451397e-20 -5.98467446804556e-20 -8.979190662290579e-20 -1.270351433508894e-19 -1.73832960435732e-19 -2.3404115616481795e-19 -3.14585779909266e-19 -4.2726045387195e-19 -5.92911098237844e-19 -8.45539105533696e-19 -1.247193572441058e-18 -1.9332824571824397e-18 -3.2204391214053598e-18 -5.90339604740274e-18 ] } }