{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14643 7.600588 7.262298 7.016511 6.823353 6.664212 6.528883 6.411158 6.30698 6.21355 6.128857 6.051405 5.980053 5.91391 5.852268 5.794551 5.740291 5.689096 5.640638 5.59464 5.550864 5.509105 5.469186 5.43095 5.392296 5.352462 5.311376 5.268954 5.225108 5.179738 5.132735 5.083978 5.033328 4.980635 4.925726 4.868406 4.808454 4.745617 4.679602 4.610072 4.53663 4.458811 4.376059 4.287706 4.192938 4.090752 3.979884 3.858724 3.725162 3.576366 3.408409 3.215616 2.989347 2.71548 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.146430000000001e-10 7.600588e-10 7.262298e-10 7.016511000000001e-10 6.823353e-10 6.664212e-10 6.528883000000001e-10 6.411158000000001e-10 6.306980000000001e-10 6.21355e-10 6.128857e-10 6.051405e-10 5.980053e-10 5.91391e-10 5.852268e-10 5.794551000000001e-10 5.740291000000001e-10 5.689096e-10 5.640638e-10 5.59464e-10 5.550864e-10 5.509105e-10 5.469186e-10 5.430950000000001e-10 5.392296e-10 5.352462e-10 5.311376e-10 5.268954e-10 5.225107999999999e-10 5.179738000000001e-10 5.132735e-10 5.083978e-10 5.033328e-10 4.980635e-10 4.925726e-10 4.868406e-10 4.808454e-10 4.745617e-10 4.679602000000001e-10 4.610072e-10 4.53663e-10 4.458811e-10 4.376059e-10 4.287706e-10 4.192938e-10 4.090752e-10 3.9798840000000005e-10 3.858724e-10 3.725162e-10 3.576366e-10 3.408409e-10 3.215616e-10 2.989347e-10 2.71548e-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" [ 0.0055698 0.374133 1.01527 1.61714 2.12686 2.55071 2.90343 3.19849 3.44667 3.65636 3.83407 3.98488 4.11284 4.22118 4.31251 4.38897 4.45236 4.50415 4.54559 4.57775 4.60153 4.61773 4.62702 4.63 4.62687 4.61692 4.59918 4.57255 4.53572 4.48716 4.42511 4.34781 4.25447 4.1452 4.01808 3.86367 3.6597 3.36718 2.92783 2.2617 1.26412 -0.198472 -2.29444 -5.2328 -9.29493 -15.0496 -23.6826 -37.1681 -58.3451 -91.0643 -140.921 -220.112 -361.58 -666.463 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.9238034160532e-22 5.99427150608322e-20 1.6266418712011796e-19 2.59094392190676e-19 3.40760539578924e-19 4.0866879621101397e-19 4.65180770445462e-19 5.12454594208266e-19 5.52217413910878e-19 5.858134557492239e-19 6.14285736712038e-19 6.38448162529392e-19 6.58949614738056e-19 6.76307596390812e-19 6.909402755891339e-19 7.031905181326979e-19 7.133467158156239e-19 7.2164438860311e-19 7.282838085744059e-19 7.3343640862935e-19 7.37246384665002e-19 7.398419108120819e-19 7.413303329050679e-19 7.418077815419999e-19 7.41306300255558e-19 7.39712134504728e-19 7.368698731560119e-19 7.326032767796699e-19 7.26702460236648e-19 7.18922290501944e-19 7.08980784487974e-19 6.965959591071539e-19 6.81641242405398e-19 6.641342583256799e-19 6.43767388954272e-19 6.190281795486779e-19 5.8634858274498e-19 5.394817118472119e-19 4.69090081432422e-19 3.6236428931177996e-19 2.0253435265720797e-19 -3.17987200903248e-20 -3.6760981561149597e-19 -8.3838698903952e-19 -1.489211966066562e-18 -2.4112117471046397e-18 -3.7943708352368395e-18 -5.95498613501754e-18 -9.34791559283934e-18 -1.459010936515662e-17 -2.2578033343991397e-17 -3.52658303263008e-17 -5.7931502732172e-17 -1.0677914460255419e-16 ] } }