{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "C" "C" "C" "C" ] } "a" { "source-value" [ 4.39349 4.099109 3.916664 3.784108 3.679934 3.594107 3.521122 3.457631 3.401446 3.351058 3.305382 3.263611 3.22513 3.189458 3.156213 3.125086 3.095822 3.068212 3.042078 3.017271 2.993662 2.97114 2.949611 2.92899 2.908143 2.886661 2.864502 2.841623 2.817977 2.793508 2.768159 2.741863 2.714547 2.686129 2.656516 2.625602 2.593269 2.55938 2.523778 2.486279 2.446671 2.404702 2.360073 2.312423 2.261313 2.206203 2.146411 2.081067 2.009035 1.928787 1.838206 1.73423 1.6122 1.4645 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3934900000000003e-10 4.0991090000000006e-10 3.916664e-10 3.784108e-10 3.679934e-10 3.594107e-10 3.521122e-10 3.457631e-10 3.401446e-10 3.351058e-10 3.3053819999999997e-10 3.2636110000000004e-10 3.2251300000000003e-10 3.189458e-10 3.1562130000000004e-10 3.125086e-10 3.095822e-10 3.068212e-10 3.042078e-10 3.017271e-10 2.993662e-10 2.97114e-10 2.949611e-10 2.9289900000000003e-10 2.9081430000000003e-10 2.8866610000000005e-10 2.864502e-10 2.841623e-10 2.817977e-10 2.793508e-10 2.7681589999999997e-10 2.741863e-10 2.7145470000000003e-10 2.686129e-10 2.656516e-10 2.6256020000000003e-10 2.5932689999999997e-10 2.5593800000000003e-10 2.5237780000000003e-10 2.486279e-10 2.446671e-10 2.404702e-10 2.360073e-10 2.312423e-10 2.261313e-10 2.206203e-10 2.146411e-10 2.081067e-10 2.009035e-10 1.928787e-10 1.838206e-10 1.73423e-10 1.6122000000000001e-10 1.4645e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 2.39098 2.55353 2.69845 2.82774 2.943 3.04552 3.13638 3.21651 3.28666 3.34752 3.39967 3.44363 3.47985 3.50875 3.53069 3.54601 3.555 3.55794 3.55476 3.54444 3.52564 3.49676 3.45588 3.40067 3.32831 3.23539 3.1177 2.97005 2.78603 2.55759 2.27458 1.92412 1.48962 -2.40174 -3.31896 -4.44586 -5.84307 -7.59386 -9.8149 -12.6733 -16.4151 -21.4139 -42.6708 -54.9074 -72.7564 -106.65 -154.348 -258.194 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 3.8307722883613196e-19 4.0912061002180193e-19 4.3233935380172994e-19 4.530538955027159e-19 4.715205833862e-19 4.87946098237968e-19 5.02503475134492e-19 5.15341716502734e-19 5.2658098559024395e-19 5.363318325847679e-19 5.446871837310779e-19 5.51730352214142e-19 5.5753343598248995e-19 5.6216372645475e-19 5.656789019897459e-19 5.68133436593034e-19 5.69573793387e-19 5.70044833317396e-19 5.69535341147784e-19 5.678818948614959e-19 5.64869802789576e-19 5.602427166705839e-19 5.53693018590792e-19 5.448474013944779e-19 5.33254051270854e-19 5.18366625987726e-19 4.9951060918218e-19 4.7585447118117e-19 4.4637121676230195e-19 4.0977109373520595e-19 3.6442789281637196e-19 3.0827801050120797e-19 2.3866343575390797e-19 -3.84801170894316e-19 -5.31756016118064e-19 -7.123053010035239e-19 -9.36163022482638e-19 -1.216670505386724e-18 -1.5725203445046598e-18 -2.0304865135672198e-18 -2.6299889664773395e-18 -3.43088502228126e-18 -6.836615871408719e-18 -8.79713533136916e-18 -1.1656860405395759e-17 -1.7087213801609998e-17 -2.4729275910463202e-17 -4.13672393838996e-17 ] } }