{ "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" [ 9.27303 8.651703 8.266629 7.986852 7.766982 7.585833 7.431789 7.297783 7.179198 7.072847 6.976442 6.888279 6.80706 6.73177 6.661603 6.595904 6.53414 6.475865 6.420706 6.368347 6.318517 6.270983 6.225543 6.18202 6.13802 6.092678 6.045909 5.997621 5.947711 5.896067 5.842563 5.787062 5.729409 5.669428 5.606925 5.541678 5.473435 5.401907 5.326763 5.247617 5.164019 5.075438 4.981241 4.880669 4.772796 4.656477 4.530277 4.392361 4.240327 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.27303e-10 8.651703e-10 8.266629e-10 7.986852e-10 7.766982e-10 7.585833e-10 7.431789000000001e-10 7.297783e-10 7.179198000000001e-10 7.072847e-10 6.976442e-10 6.888279e-10 6.80706e-10 6.73177e-10 6.661603000000001e-10 6.595904e-10 6.534140000000001e-10 6.475865e-10 6.420706e-10 6.368347e-10 6.318517e-10 6.270983e-10 6.225543e-10 6.18202e-10 6.13802e-10 6.092678e-10 6.045909000000001e-10 5.997621e-10 5.947711e-10 5.896067000000001e-10 5.842563000000001e-10 5.787062e-10 5.729409000000001e-10 5.669428e-10 5.606925e-10 5.541678e-10 5.473435000000001e-10 5.401907e-10 5.326763e-10 5.247617e-10 5.164019e-10 5.075438000000001e-10 4.981241e-10 4.880669e-10 4.772796e-10 4.656477e-10 4.5302770000000003e-10 4.392361e-10 4.2403269999999996e-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" [ 0.770186 1.15446 1.4922 1.80174 2.09107 2.36211 2.61779 2.85814 3.0839 3.29553 3.49351 3.67821 3.84914 4.00622 4.14993 4.28003 4.39577 4.49691 4.58321 4.65437 4.71009 4.75007 4.77469 4.78301 4.77363 4.74225 4.68308 4.5892 4.45086 4.25602 3.9891 3.62982 3.15152 2.51906 1.68472 0.584022 -0.870676 -2.80434 -5.39257 -8.88702 -13.6616 -20.2782 -29.6109 -43.0495 -62.8886 -93.0734 -140.713 -219.388 -356.902 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.233974013033924e-19 1.84964883688764e-19 2.3907679732548e-19 2.8867057285431594e-19 3.35026349405838e-19 3.7845174489377396e-19 4.1941619707188593e-19 4.57924512470076e-19 4.9409525215926e-19 5.280021162646019e-19 5.59722009264534e-19 5.893142116945139e-19 6.167002168994759e-19 6.41867207466348e-19 6.64892087873562e-19 6.85736405881902e-19 7.042799982438179e-19 7.204844127200939e-19 7.34311197071514e-19 7.457122859990579e-19 7.54639614203706e-19 7.610451163864379e-19 7.649896752593459e-19 7.66322686218834e-19 7.648198445361419e-19 7.5979221425865e-19 7.50312135115272e-19 7.352709008752799e-19 7.131063893205239e-19 6.81889579783668e-19 6.391242810689399e-19 5.81561278962588e-19 5.04929170558368e-19 4.0359790716440397e-19 2.69921901883248e-19 9.35706402141948e-20 -1.394976742984584e-19 -4.493048021791559e-19 -8.63984965120938e-19 -1.4238575789890678e-18 -2.18882963030544e-18 -3.2489258219578794e-18 -4.74418920917106e-18 -6.8972903005383e-18 -1.0075864546497238e-17 -1.491200267269356e-17 -2.2544708070004197e-17 -3.51498327379992e-17 -5.71820045027868e-17 ] } }