{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.49982 6.997304 6.685865 6.459588 6.281762 6.135253 6.010665 5.902284 5.806375 5.720361 5.642391 5.571086 5.505398 5.444506 5.387756 5.33462 5.284667 5.237535 5.192924 5.150577 5.110276 5.071832 5.035081 4.99988 4.964294 4.927622 4.889796 4.850742 4.810376 4.768607 4.725335 4.680447 4.633818 4.585307 4.534756 4.481985 4.426792 4.368942 4.308167 4.244156 4.176544 4.104901 4.028717 3.947377 3.860131 3.766055 3.663987 3.552443 3.429482 3.292496 3.13787 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.49982e-10 6.997304e-10 6.685865e-10 6.459588e-10 6.281762e-10 6.135253e-10 6.010665000000001e-10 5.902284e-10 5.806375e-10 5.720361e-10 5.642391e-10 5.571086e-10 5.505398e-10 5.444506e-10 5.387756e-10 5.334620000000001e-10 5.284667e-10 5.237535000000001e-10 5.192924e-10 5.150577000000001e-10 5.110276e-10 5.071832e-10 5.035081e-10 4.99988e-10 4.964294e-10 4.927622e-10 4.889796e-10 4.850742000000001e-10 4.810376e-10 4.768607000000001e-10 4.725335e-10 4.680447e-10 4.633818e-10 4.5853070000000003e-10 4.534756e-10 4.481985e-10 4.426792e-10 4.3689419999999997e-10 4.308167e-10 4.2441560000000006e-10 4.176544e-10 4.1049010000000003e-10 4.0287170000000005e-10 3.947377e-10 3.860131e-10 3.766055e-10 3.6639870000000005e-10 3.552443e-10 3.4294820000000004e-10 3.292496e-10 3.13787e-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" [ 0.979389 1.22414 1.40457 1.57735 1.77206 1.95911 2.12654 2.26634 2.38032 2.47418 2.55409 2.62783 2.69825 2.76464 2.82583 2.88106 2.93002 2.97271 3.0093 3.04008 3.06539 3.08546 3.09917 3.10407 3.0987 3.08203 3.05381 3.01415 2.96311 2.90058 2.82625 2.73997 2.6418 2.5312 2.40679 2.26634 2.10696 1.92431 1.71126 1.46385 1.1794 0.850373 0.464491 0.00487883 -0.552221 -1.23937 -2.09179 -3.17977 -4.60366 -6.62241 -9.65001 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.569154171396626e-19 1.96128850474476e-19 2.25036923481738e-19 2.5271933136398997e-19 2.8391531260460397e-19 3.1388402654357396e-19 3.4070926992663596e-19 3.6310769926995596e-19 3.81369308544288e-19 3.96407338431012e-19 4.09210331913306e-19 4.2102478241242193e-19 4.3230731026904993e-19 4.42944160942176e-19 4.527478797656219e-19 4.61596701315204e-19 4.69440958115268e-19 4.76280650165814e-19 4.8214301446962e-19 4.87074514149072e-19 4.911296232097259e-19 4.943451917141639e-19 4.965417758793779e-19 4.97326842430038e-19 4.9646647357758e-19 4.93795645128702e-19 4.89274302667554e-19 4.829200701371099e-19 4.74742560597174e-19 4.64724150104772e-19 4.5281517118425e-19 4.38991591186098e-19 4.2326302317011995e-19 4.0554294959808e-19 3.85610270094486e-19 3.6310769926995596e-19 3.3757220807726395e-19 3.08308451857254e-19 2.7417407866988397e-19 2.3453462656809e-19 1.8896071221396e-19 1.362447750784482e-19 7.441966269032939e-20 7.816747427258219e-22 -8.847555830041139e-20 -1.98568965488058e-19 -3.35141706123486e-19 -5.094553195494179e-19 -7.375876482880439e-19 -1.061027056276794e-18 -1.546102053986634e-18 ] } }