{ "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" [ 7.66082 7.147516 6.829391 6.598256 6.416612 6.266958 6.139695 6.028987 5.931019 5.843159 5.763514 5.690679 5.623581 5.561381 5.503413 5.449137 5.398111 5.349968 5.304399 5.261143 5.219976 5.180706 5.143166 5.10721 5.082732 5.05697 5.029781 5.000999 4.970425 4.937821 4.902898 4.865301 4.824586 4.780189 4.731376 4.677172 4.616236 4.546656 4.465568 4.368394 4.247134 4.08577 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.66082e-10 7.147516e-10 6.829391e-10 6.598256e-10 6.416612e-10 6.266958e-10 6.139694999999999e-10 6.028987000000001e-10 5.931019e-10 5.843159e-10 5.763514e-10 5.690679e-10 5.623581e-10 5.561381e-10 5.503413e-10 5.449137000000001e-10 5.398111000000001e-10 5.349968e-10 5.304399e-10 5.261143e-10 5.219976e-10 5.180706e-10 5.143166e-10 5.107210000000001e-10 5.082732e-10 5.05697e-10 5.029781e-10 5.000999e-10 4.970424999999999e-10 4.937821e-10 4.902898000000001e-10 4.865301e-10 4.824586e-10 4.780189e-10 4.731376e-10 4.677172e-10 4.616236e-10 4.546656e-10 4.465568e-10 4.3683940000000003e-10 4.247134e-10 4.08577e-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" [ 0.914122 1.60488 2.12334 2.4995 2.7849 3.01002 3.19257 3.34347 3.46989 3.57674 3.66757 3.74501 3.81117 3.86756 3.91529 3.95548 3.98899 4.01653 4.03869 4.05597 4.06882 4.07761 4.08268 4.08431 4.08353 4.081 4.07635 4.06914 4.0588 4.0446 4.0256 4.00055 3.96778 3.93013 3.8763 3.80239 3.70337 3.56807 3.37775 3.09837 2.66112 1.90151 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4645849090253479e-19 2.57130123637392e-19 3.401965734037559e-19 4.0046404966829995e-19 4.4619017080266e-19 4.822583711872679e-19 5.11506105640938e-19 5.356829510479979e-19 5.559376680550259e-19 5.73056925389316e-19 5.87609495755938e-19 6.00016751609634e-19 6.10616752220178e-19 6.19651426259304e-19 6.27298615333386e-19 6.33737763225432e-19 6.391066571259659e-19 6.43519051576002e-19 6.470694749969459e-19 6.49838036220498e-19 6.518968331951879e-19 6.533051464564739e-19 6.54117450009912e-19 6.54378604801254e-19 6.542536350238019e-19 6.538482843354001e-19 6.531032722005899e-19 6.519481028474759e-19 6.502914522079199e-19 6.4801636138764e-19 6.4497222578304e-19 6.409587733148699e-19 6.357084404852519e-19 6.29676245458242e-19 6.2105172863742e-19 6.0921004113552595e-19 5.9334528810565795e-19 5.7166783824763795e-19 5.4117521254935e-19 4.96413601748658e-19 4.2635842842700794e-19 3.04655489131734e-19 ] } }