{ "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" [ 8.08881 7.54683 7.210932 6.966885 6.775093 6.617078 6.482706 6.365813 6.262372 6.169603 6.085509 6.008606 5.937759 5.872084 5.810877 5.753569 5.699692 5.648859 5.600745 5.555072 5.511606 5.470142 5.430505 5.39254 5.354159 5.314607 5.273811 5.231689 5.188153 5.143104 5.096434 5.048021 4.99773 4.945409 4.890888 4.833973 4.774445 4.712052 4.646505 4.577466 4.504544 4.427275 4.345108 4.257379 4.163282 4.061818 3.951734 3.831431 3.698813 3.551069 3.384299 3.19287 2.9682 2.69627 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.088810000000001e-10 7.54683e-10 7.210932e-10 6.966885e-10 6.775093000000001e-10 6.617078e-10 6.482706000000001e-10 6.365813e-10 6.262372e-10 6.169603000000001e-10 6.085509e-10 6.008606e-10 5.937759e-10 5.872084e-10 5.810877e-10 5.753569e-10 5.699692e-10 5.648859e-10 5.600745e-10 5.555072e-10 5.511606e-10 5.470142000000001e-10 5.430505000000001e-10 5.39254e-10 5.354159e-10 5.314607e-10 5.273811e-10 5.231689e-10 5.188153e-10 5.143104000000001e-10 5.096434000000001e-10 5.048021e-10 4.997729999999999e-10 4.945409e-10 4.890888e-10 4.833973000000001e-10 4.774445e-10 4.712052e-10 4.6465050000000005e-10 4.5774660000000005e-10 4.5045440000000004e-10 4.427275e-10 4.345108e-10 4.257379e-10 4.163282e-10 4.061818e-10 3.9517340000000004e-10 3.831431e-10 3.698813e-10 3.551069e-10 3.384299e-10 3.19287e-10 2.9682e-10 2.69627e-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" [ 0.714849 0.978318 1.13827 1.23423 1.33143 1.44331 1.55894 1.66237 1.74635 1.81013 1.85735 1.89296 1.92045 1.94239 1.96057 1.97628 1.99035 2.0032 2.01496 2.0253 2.03375 2.04 2.04384 2.04513 2.04375 2.03932 2.03138 2.01945 2.00299 1.98124 1.95347 1.91928 1.87855 1.83135 1.77781 1.71794 1.65179 1.57869 1.49785 1.40978 1.31605 1.21707 1.11171 0.993635 0.843142 0.643041 0.362864 -0.0480816 -0.678277 -1.92866 -6.57578 -24.5942 -54.8248 -97.4553 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.145314364638266e-19 1.5674382402216119e-19 1.8237095971831797e-19 1.9774544669818198e-19 2.1331860358066197e-19 2.31243755761854e-19 2.4976972418079596e-19 2.66341037106258e-19 2.7979611647859e-19 2.90014799050242e-19 2.9758027711599e-19 3.0328562810966397e-19 3.0769001167652997e-19 3.11205187211526e-19 3.1411794433213795e-19 3.16634963824152e-19 3.1888922634819e-19 3.2094802332288e-19 3.22832183044464e-19 3.2448883368402e-19 3.2584267293974996e-19 3.26844033336e-19 3.2745926916345597e-19 3.2766594994924194e-19 3.2744484957375e-19 3.26735085324888e-19 3.2546295707749197e-19 3.2355156035313e-19 3.2091437761356597e-19 3.1742964343461598e-19 3.12980398921998e-19 3.07502557010352e-19 3.0097689158007e-19 2.9341461786759e-19 2.8483656416915397e-19 2.75244332661396e-19 2.64645934227486e-19 2.5293402303294595e-19 2.3998202712368997e-19 2.2587165750805197e-19 2.1085445591756997e-19 1.94996111594238e-19 1.7811557857841398e-19 1.5919787797245899e-19 1.350862411544028e-19 1.0302652649039939e-19 5.81372222119776e-20 -7.70352160453344e-21 -1.0867195607796179e-19 -3.09005398693044e-19 -1.053556106632452e-18 -3.94042525719228e-18 -8.78390135237232e-18 -1.561406045194602e-17 ] } }