{ "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" [ "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" ] } "a" { "source-value" [ 8.40574 7.842525 7.493467 7.239858 7.040551 6.876346 6.736709 6.615236 6.507742 6.411339 6.32395 6.244033 6.17041 6.102162 6.038558 5.979004 5.923017 5.870192 5.820192 5.77273 5.727561 5.684473 5.643282 5.60383 5.563945 5.522844 5.480449 5.436677 5.391435 5.344622 5.296123 5.245813 5.193551 5.13918 5.082523 5.023379 4.961518 4.896681 4.828565 4.756821 4.681042 4.600746 4.515359 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.405740000000001e-10 7.842525e-10 7.493467e-10 7.239858e-10 7.040551e-10 6.876346000000001e-10 6.736709000000001e-10 6.615236e-10 6.507742e-10 6.411339e-10 6.323950000000001e-10 6.244033000000001e-10 6.170410000000001e-10 6.102162e-10 6.038558e-10 5.979004e-10 5.923017e-10 5.870192000000001e-10 5.820192e-10 5.77273e-10 5.727561e-10 5.684473e-10 5.643282e-10 5.60383e-10 5.563945000000001e-10 5.522844e-10 5.480449e-10 5.436677e-10 5.391435e-10 5.344622e-10 5.296123e-10 5.245813000000001e-10 5.193551e-10 5.13918e-10 5.082523e-10 5.023379e-10 4.961518e-10 4.896681e-10 4.828565e-10 4.756821000000001e-10 4.681042e-10 4.600746e-10 4.515359e-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" [ 0.639259 0.958211 1.23853 1.49545 1.7356 1.96056 2.17278 2.37227 2.55965 2.7353 2.89963 3.05293 3.1948 3.32518 3.44446 3.55244 3.6485 3.73245 3.80408 3.86314 3.90939 3.94258 3.96301 3.96991 3.96213 3.93608 3.88698 3.80905 3.69423 3.53251 3.31097 3.01278 2.61577 2.09084 1.39833 0.484764 -0.722647 -2.32755 -4.47578 -7.37619 -11.3391 -16.8308 -24.5769 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.024205832874206e-19 1.535223274641774e-19 1.9843438265080198e-19 2.3959750473152996e-19 2.7807377659704e-19 3.14116342155504e-19 3.4811773468225197e-19 3.8007955635391797e-19 4.1010114212180996e-19 4.3824337469802e-19 4.64571943324542e-19 4.891333111237619e-19 5.1186339103032e-19 5.327525699844119e-19 5.518633328747639e-19 5.691636361686959e-19 5.845541449149e-19 5.9800441775732995e-19 6.094808089866719e-19 6.18943264187076e-19 6.26353331119326e-19 6.316709553675719e-19 6.34944202230834e-19 6.36049704108294e-19 6.34803210687042e-19 6.306295405554719e-19 6.22762853282532e-19 6.102770907737699e-19 5.9188089866218195e-19 5.659704981371339e-19 5.30475876987498e-19 4.827005719382519e-19 4.1909255739181794e-19 3.34989499343256e-19 2.24037165262122e-19 7.766775538043759e-20 -1.157808138030198e-19 -3.7291462244666996e-19 -7.17099013492452e-19 -1.181795926594446e-18 -1.81672410705894e-18 -2.69659144915272e-18 -3.937653491615459e-18 ] } }