{ "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" [ "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 8.17134 7.62383 7.284505 7.037968 6.844219 6.684592 6.548849 6.430764 6.326267 6.232552 6.1476 6.069911 5.998341 5.931997 5.870165 5.812272 5.757846 5.706495 5.657889 5.611751 5.567841 5.525954 5.485912 5.44756 5.408787 5.368832 5.32762 5.285068 5.241088 5.19558 5.148433 5.099526 5.048721 4.995867 4.940789 4.883294 4.823159 4.760129 4.693913 4.62417 4.550504 4.472446 4.389441 4.300817 4.20576 4.10326 3.992054 3.870523 3.736552 3.5873 3.418829 3.225447 2.998485 2.72378 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.171340000000001e-10 7.62383e-10 7.284505000000001e-10 7.037968e-10 6.844219e-10 6.684592e-10 6.548849e-10 6.430764e-10 6.326267e-10 6.232552e-10 6.1476e-10 6.069911e-10 5.998341e-10 5.931997e-10 5.870165e-10 5.812272e-10 5.757846e-10 5.706495e-10 5.657889e-10 5.611751e-10 5.567841e-10 5.525954e-10 5.485912e-10 5.447560000000001e-10 5.408787e-10 5.368832e-10 5.327619999999999e-10 5.285068e-10 5.241088000000001e-10 5.19558e-10 5.148433e-10 5.099526e-10 5.048721e-10 4.995867e-10 4.940789e-10 4.883294e-10 4.823159000000001e-10 4.760129e-10 4.693913000000001e-10 4.6241700000000007e-10 4.550504e-10 4.4724459999999997e-10 4.389441e-10 4.3008170000000005e-10 4.20576e-10 4.10326e-10 3.992054e-10 3.8705230000000003e-10 3.736552e-10 3.5873e-10 3.418829e-10 3.225447e-10 2.9984850000000004e-10 2.7237800000000003e-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" [ 3.67399 4.25831 4.54004 4.70012 4.80667 4.88465 4.94428 4.99059 5.027 5.05631 5.08075 5.10185 5.12058 5.13753 5.15306 5.16737 5.18056 5.19265 5.20359 5.21321 5.22126 5.22743 5.23139 5.23279 5.2311 5.2252 5.21354 5.19411 5.16432 5.12092 5.05983 4.97582 4.86175 4.70828 4.5056 4.24446 3.91627 3.51242 3.02164 2.42736 1.70564 0.822806 -0.267238 -1.62651 -3.34166 -5.5532 -8.49039 -12.541 -18.3653 -26.903 -39.0928 -56.4224 -82.4215 -126.154 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.88638093154966e-19 6.822564782328539e-19 7.27394600542536e-19 7.53042244099608e-19 7.70113436134878e-19 7.826072095268099e-19 7.921609887953519e-19 7.99580668787406e-19 8.054141939118e-19 8.101101736260539e-19 8.1402589331955e-19 8.174064860172899e-19 8.20407362852772e-19 8.23123052247402e-19 8.2561123256000395e-19 8.279039473232579e-19 8.300172183035039e-19 8.319542498540101e-19 8.33707031091606e-19 8.352483250135139e-19 8.365380772038839e-19 8.375266201870619e-19 8.38161082134126e-19 8.383853868628859e-19 8.381146190117399e-19 8.3716933479768e-19 8.35301196842436e-19 8.32188167642574e-19 8.274152834498879e-19 8.20461836858328e-19 8.106741398012219e-19 7.972142538989879e-19 7.789382250349499e-19 7.54349620232952e-19 7.2187670421504e-19 6.800374635947639e-19 6.274556286435179e-19 5.627517252794279e-19 4.84120100435976e-19 3.88905947430624e-19 2.73273655401576e-19 1.318280547515004e-19 -4.281624793168919e-20 -2.6059563169673397e-19 -5.353929570772439e-19 -8.8972072839288e-19 -1.360310447154726e-18 -2.0092897166994e-18 -2.94244545364002e-18 -4.3103357984502e-18 -6.263357071763519e-18 -9.03986509142016e-18 -1.3205380143923099e-17 -2.0212099108563598e-17 ] } }