{ "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 8.01535 7.478293 7.145446 6.903615 6.713565 6.556986 6.423834 6.308003 6.205502 6.113575 6.030245 5.95404 5.883836 5.818758 5.758107 5.70132 5.647932 5.597561 5.549884 5.504626 5.461554 5.420467 5.38119 5.34357 5.317959 5.291005 5.262558 5.232444 5.200455 5.166342 5.129803 5.090466 5.047867 5.001415 4.950343 4.893631 4.829875 4.757075 4.672234 4.570563 4.443692 4.27486 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.01535e-10 7.478293e-10 7.145446e-10 6.903615e-10 6.713565000000001e-10 6.556986000000001e-10 6.423834000000001e-10 6.308003e-10 6.205502000000001e-10 6.113575e-10 6.030245e-10 5.954040000000001e-10 5.883836e-10 5.818758e-10 5.758107e-10 5.70132e-10 5.647932000000001e-10 5.597561e-10 5.549884e-10 5.504626e-10 5.461554e-10 5.420467000000001e-10 5.38119e-10 5.34357e-10 5.317959e-10 5.291005e-10 5.262558e-10 5.232444e-10 5.200455e-10 5.166342e-10 5.129803e-10 5.090466000000001e-10 5.047867000000001e-10 5.001415e-10 4.950343e-10 4.893631e-10 4.829875e-10 4.757075e-10 4.672234e-10 4.5705630000000003e-10 4.4436920000000004e-10 4.2748600000000006e-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" [ 0.380732 0.499512 0.697077 1.00195 1.29388 1.56792 1.7764 1.93663 2.06583 2.17343 2.26489 2.34362 2.41187 2.47126 2.52293 2.56775 2.60634 2.63915 2.6665 2.68863 2.7057 2.71783 2.72507 2.72748 2.72628 2.72228 2.71471 2.70261 2.68467 2.65914 2.6236 2.57471 2.50766 2.4154 2.2872 2.10617 1.84429 1.4522 0.835788 -0.203604 -2.14222 -6.34431 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.099999091904257e-20 8.003064482090497e-20 1.1168404722974015e-19 1.60530086521056e-19 2.073024286120704e-19 2.5120847672847363e-19 2.84610654918912e-19 3.102823309139904e-19 3.3098245285472643e-19 3.4822187329453445e-19 3.628753806683712e-19 3.7548931720392963e-19 3.864241726408896e-19 3.9593949959182084e-19 4.0421794619149443e-19 4.1139890180592006e-19 4.175817013855872e-19 4.22838442878432e-19 4.2722039593632003e-19 4.307660127981504e-19 4.3350092828985607e-19 4.354443685308865e-19 4.366043444043457e-19 4.369904689699584e-19 4.367982077754624e-19 4.361573371271425e-19 4.349444894251968e-19 4.3300585571402883e-19 4.3013155085631364e-19 4.260411939434112e-19 4.2034705823308803e-19 4.125140167339968e-19 4.017714224915328e-19 3.86989740988032e-19 3.66449836709376e-19 3.374456333430336e-19 2.954878319975232e-19 2.32668088872576e-19 1.3390799935451905e-19 -3.2620956870136324e-20 -3.432214800610176e-19 -1.016470515710765e-18 ] } }