{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 7.58203 7.074007 6.759154 6.530397 6.350621 6.202507 6.076553 5.966985 5.870024 5.783068 5.704243 5.632157 5.565749 5.504189 5.446817 5.393099 5.342598 5.29495 5.24985 5.207039 5.166296 5.12743 5.090276 5.05469 5.030464 5.004966 4.978057 4.949571 4.919311 4.887043 4.852479 4.815268 4.774971 4.73103 4.682719 4.629073 4.568763 4.499899 4.419644 4.323469 4.203455 4.04375 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.58203e-10 7.074007e-10 6.759154e-10 6.530397e-10 6.350621e-10 6.202507e-10 6.076553e-10 5.966985000000001e-10 5.870024e-10 5.783068000000001e-10 5.704243e-10 5.632157e-10 5.565749000000001e-10 5.504189e-10 5.446817e-10 5.393099e-10 5.342598e-10 5.29495e-10 5.24985e-10 5.207039e-10 5.166296e-10 5.127430000000001e-10 5.090276e-10 5.05469e-10 5.030464e-10 5.004965999999999e-10 4.978057e-10 4.949571e-10 4.919311e-10 4.887043e-10 4.852479e-10 4.815268e-10 4.774971e-10 4.73103e-10 4.682719e-10 4.629073e-10 4.568763e-10 4.4998990000000003e-10 4.419644e-10 4.3234690000000006e-10 4.203455e-10 4.04375e-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" [ 0.585796 0.771927 0.906543 1.01455 1.10897 1.20566 1.32003 1.45589 1.60554 1.75723 1.90119 2.03152 2.14575 2.24363 2.32609 2.39456 2.45062 2.49578 2.53136 2.55857 2.5784 2.59173 2.59928 2.60167 2.60055 2.59693 2.59034 2.58024 2.5659 2.54642 2.52065 2.48706 2.44361 2.38753 2.31492 2.22015 2.09472 1.92532 1.68963 1.34727 0.816538 -0.0987629 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.385486634906639e-20 1.2367634025537179e-19 1.452442012316262e-19 1.6254883040247e-19 1.7767658218069798e-19 1.9316802805484399e-19 2.11492122217902e-19 2.3325929396742597e-19 2.5723586729523596e-19 2.81539284656382e-19 3.04604219479446e-19 3.2548538755036797e-19 3.4378705124055e-19 3.5946915613414196e-19 3.72680704658106e-19 3.8365080807110392e-19 3.9263261028130794e-19 3.9986803996045193e-19 4.0556858442422394e-19 4.09928107045338e-19 4.1310522331055993e-19 4.15240924763682e-19 4.1645056812235195e-19 4.1683348833787797e-19 4.1665404455487e-19 4.1607405661336195e-19 4.1501822221155595e-19 4.1340002381121595e-19 4.1110250251806e-19 4.0798146243502797e-19 4.0385265324920993e-19 3.98470941935604e-19 3.91509484460874e-19 3.8252447789740195e-19 3.7089107335792793e-19 3.5570724539750996e-19 3.35611143877248e-19 3.0847027169728796e-19 2.70708570610542e-19 2.1585645136891798e-19 1.3082381043730918e-19 -1.582356106860786e-20 ] } }