{ "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" [ "V" "V" "V" "V" "V" "V" "V" "V" ] } "a" { "source-value" [ 8.15618 7.609685 7.270989 7.024909 6.83152 6.672189 6.536697 6.418831 6.314528 6.220986 6.136192 6.058647 5.98721 5.920988 5.859272 5.801486 5.747161 5.695905 5.647389 5.601336 5.557508 5.515699 5.475731 5.43745 5.411389 5.383961 5.355014 5.324371 5.29182 5.257108 5.219927 5.179899 5.136551 5.089282 5.037313 4.979604 4.914728 4.840649 4.754317 4.650859 4.521758 4.34996 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.156180000000001e-10 7.609685e-10 7.270989000000001e-10 7.024909e-10 6.831520000000001e-10 6.672189000000001e-10 6.536697000000001e-10 6.418831e-10 6.314528e-10 6.220986e-10 6.136192000000001e-10 6.058647e-10 5.987210000000001e-10 5.920988000000001e-10 5.859272e-10 5.801486e-10 5.747161000000001e-10 5.695904999999999e-10 5.647389e-10 5.601336e-10 5.557508e-10 5.515699e-10 5.475731e-10 5.437450000000001e-10 5.411389e-10 5.383961e-10 5.355014e-10 5.324371000000001e-10 5.29182e-10 5.257108e-10 5.219927e-10 5.179899e-10 5.136551000000001e-10 5.089282e-10 5.037313000000001e-10 4.979604e-10 4.914728e-10 4.840649e-10 4.754317e-10 4.650859e-10 4.5217580000000004e-10 4.3499600000000007e-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" [ 1.41776 2.01047 2.3721 2.62295 2.80573 2.94185 3.04679 3.12972 3.19892 3.25854 3.31055 3.35597 3.39544 3.42951 3.45871 3.48349 3.50428 3.52145 3.53534 3.54626 3.55448 3.56019 3.56353 3.56463 3.5641 3.56235 3.55909 3.55398 3.54656 3.53622 3.5222 3.50346 3.47858 3.44558 3.40161 3.34242 3.26144 3.14794 2.98337 2.73218 2.31521 1.51973 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.2715019446198396e-19 3.22112805735798e-19 3.8005231935114e-19 4.2024292021502996e-19 4.49527504731282e-19 4.713363330732899e-19 4.88149574670486e-19 5.01436425496248e-19 5.12523487803528e-19 5.22075664895436e-19 5.3040858556887e-19 5.37685671840498e-19 5.440094630148959e-19 5.49468078806934e-19 5.541464345782139e-19 5.58116628277266e-19 5.61447553499352e-19 5.6419849077993e-19 5.66423914124556e-19 5.68173491008884e-19 5.69490480202032e-19 5.704053230600459e-19 5.70940450055802e-19 5.71116689485542e-19 5.710317741239399e-19 5.7075139321299e-19 5.702290836303059e-19 5.69410371370332e-19 5.68221556307904e-19 5.665649056683479e-19 5.6431865402748e-19 5.61316175015364e-19 5.57329959549972e-19 5.52042776657772e-19 5.449980059980739e-19 5.35514722501428e-19 5.22540296119296e-19 5.04355591323396e-19 4.77988570457658e-19 4.377434955882119e-19 3.7093753648031397e-19 2.4348758959888198e-19 ] } }