{ "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" [ "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 6.10275 5.693843 5.440419 5.256293 5.111592 4.992375 4.890995 4.802804 4.724761 4.65477 4.591323 4.533302 4.47985 4.430301 4.384122 4.340885 4.300237 4.261885 4.225584 4.191125 4.158331 4.127048 4.097143 4.0685 4.049 4.028478 4.006819 3.98389 3.959535 3.933562 3.905741 3.875791 3.843356 3.807988 3.769103 3.725923 3.67738 3.621951 3.557355 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.10275e-10 5.693843000000001e-10 5.440419000000001e-10 5.256293000000001e-10 5.111592e-10 4.992375000000001e-10 4.890995e-10 4.802804e-10 4.724761e-10 4.65477e-10 4.591323e-10 4.533302e-10 4.4798500000000003e-10 4.430301e-10 4.3841219999999997e-10 4.3408850000000004e-10 4.300237e-10 4.2618850000000004e-10 4.225584e-10 4.1911250000000004e-10 4.1583310000000006e-10 4.1270480000000006e-10 4.097143e-10 4.0685000000000005e-10 4.0490000000000007e-10 4.028478e-10 4.0068190000000004e-10 3.9838900000000005e-10 3.959535e-10 3.933562e-10 3.905741e-10 3.875791e-10 3.8433560000000003e-10 3.807988e-10 3.769103e-10 3.725923e-10 3.67738e-10 3.6219510000000004e-10 3.557355e-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" [ 0.598543 0.609554 0.879327 1.18335 1.50799 1.8839 2.296 2.69903 3.03999 3.30325 3.49711 3.64023 3.75625 3.85686 3.94452 4.02076 4.08685 4.14351 4.19104 4.22985 4.2601 4.28184 4.29497 4.29936 4.29715 4.28976 4.2758 4.25343 4.22028 4.17372 4.11067 4.02629 3.91433 3.7668 3.57313 3.31586 2.96691 2.4807 1.77463 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.58971609044262e-20 9.76613175961236e-20 1.4088371730453179e-19 1.8959357198438997e-19 2.4160663423056595e-19 3.0183405607925996e-19 3.6785975516639994e-19 4.3243228004650197e-19 4.87060094559366e-19 5.2923899662605e-19 5.60298792852774e-19 5.832291448385819e-19 6.0181759814625e-19 6.17937097260924e-19 6.319817776345679e-19 6.44196772292184e-19 6.547855576662899e-19 6.638634904745339e-19 6.71478636015936e-19 6.7769668353249e-19 6.8254326785034e-19 6.860263998526559e-19 6.88130057773098e-19 6.88833413315424e-19 6.8847933227931e-19 6.87295323746784e-19 6.8505868516572e-19 6.81474616035462e-19 6.761634004937519e-19 6.68703666085848e-19 6.586019424084779e-19 6.45082775970786e-19 6.27144806376522e-19 6.0350789449511995e-19 5.72478539624442e-19 5.31259341361524e-19 4.753513877180939e-19 3.9745195759637997e-19 2.8432707199954197e-19 ] } }