{ "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 5.018714 4.98164 4.943399 4.903917 4.863108 4.820882 4.777135 4.731755 4.684614 4.635571 4.584466 4.531117 4.475319 4.416834 4.355393 4.29068 4.222326 4.149898 4.072879 3.990647 3.902444 3.807337 3.70415 3.591383 3.467074 3.328586 3.172265 2.992828 2.782234 2.52734 ] "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 5.018714000000001e-10 4.98164e-10 4.943399e-10 4.903917e-10 4.863108000000001e-10 4.820882e-10 4.777135000000001e-10 4.731755e-10 4.684614e-10 4.635571e-10 4.584466e-10 4.531117e-10 4.475319e-10 4.4168339999999997e-10 4.3553930000000006e-10 4.2906800000000003e-10 4.222326e-10 4.1498980000000007e-10 4.0728790000000005e-10 3.990647e-10 3.902444e-10 3.8073370000000003e-10 3.70415e-10 3.591383e-10 3.4670740000000003e-10 3.328586e-10 3.172265e-10 2.992828e-10 2.782234e-10 2.52734e-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 2.59919 2.59139 2.57762 2.55715 2.52913 2.49252 2.44614 2.38854 2.318 2.23245 2.12937 2.00571 1.85767 1.68058 1.46857 1.21436 0.908274 0.538129 0.0879003 -0.463782 -1.14587 -1.99836 -3.07784 -4.46648 -6.28753 -8.73299 -12.1162 -16.9796 -24.3354 -36.2754 ] "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 4.16436148532646e-19 4.15186450758126e-19 4.12980253533108e-19 4.0970059796330997e-19 4.0521129903484195e-19 3.9934573037776794e-19 3.9191483514927603e-19 3.8268629773743597e-19 3.713845437612e-19 3.5767792265733e-19 3.41162685914058e-19 3.21350169658014e-19 2.9763154676827795e-19 2.69258600756772e-19 2.3529085393933797e-19 1.94561921726424e-19 1.455215380069716e-19 8.62177709877786e-20 1.4083180678159018e-20 -7.43060683669788e-20 -1.8358861396015798e-19 -3.2017256983202396e-19 -4.93124333119056e-19 -7.156089892228319e-19 -1.007373365157402e-18 -1.3991792522955657e-18 -1.94122925328708e-18 -2.72043183746664e-18 -3.898960925904359e-18 -5.811959826900359e-18 ] } }