{ "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 6.95213 6.486311 6.197615 5.987862 5.823021 5.687211 5.571722 5.471255 5.38235 5.302618 5.230341 5.164244 5.103352 5.046907 4.994301 4.945046 4.89874 4.855051 4.813697 4.774443 4.737084 4.701447 4.66738 4.63475 4.612536 4.589157 4.564484 4.538365 4.510619 4.481031 4.449339 4.415219 4.378271 4.33798 4.293683 4.244493 4.189195 4.126051 4.052464 3.964279 3.854237 3.7078 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.95213e-10 6.486311e-10 6.197615e-10 5.987862e-10 5.823021e-10 5.687211e-10 5.571722e-10 5.471255000000001e-10 5.38235e-10 5.302618e-10 5.230341000000001e-10 5.164244e-10 5.103352e-10 5.046907000000001e-10 4.994301e-10 4.945046e-10 4.89874e-10 4.855051e-10 4.813697000000001e-10 4.774443e-10 4.737084e-10 4.701447e-10 4.66738e-10 4.6347500000000005e-10 4.6125360000000005e-10 4.5891570000000003e-10 4.564484e-10 4.538365e-10 4.5106190000000003e-10 4.481031e-10 4.4493390000000004e-10 4.415219e-10 4.378271e-10 4.33798e-10 4.2936829999999996e-10 4.2444930000000005e-10 4.189195e-10 4.126051e-10 4.0524639999999996e-10 3.964279e-10 3.854237e-10 3.7078000000000004e-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" [ 1.67495 1.8178 1.65293 1.25095 0.785169 0.488126 0.373975 0.39922 0.508073 0.643033 0.828885 1.02381 1.18133 1.28615 1.3436 1.37215 1.39387 1.42444 1.46985 1.53439 1.61954 1.69023 1.73288 1.74719 1.74005 1.7162 1.67137 1.60127 1.50274 1.37241 1.20718 1.00433 0.782609 0.574244 0.374412 0.174329 -0.0412099 -0.315173 -0.851961 -2.21159 -4.26359 -7.9788 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.68356573100896e-19 2.9124366612902405e-19 2.648285801818944e-19 2.0042428437897602e-19 1.2579794151769154e-19 7.820640652046208e-20 5.9917400176368e-20 6.39620950555776e-20 8.140226822597184e-20 1.0302524390028864e-19 1.328020168331808e-19 1.6403244461412484e-19 1.8926993074496641e-19 2.06063946084192e-19 2.15268450770688e-19 2.19842665023072e-19 2.2332259264344963e-19 2.282204465732352e-19 2.3549593060828804e-19 2.458363785189312e-19 2.594789124450432e-19 2.708046989774784e-19 2.776379822651904e-19 2.799306970095552e-19 2.7878674290230406e-19 2.74965551661696e-19 2.677829938706496e-19 2.565517357588416e-19 2.407654895140992e-19 2.198843216152128e-19 1.934115573097344e-19 1.609114045568064e-19 1.2538778430276673e-19 9.200403114346752e-20 5.998741529469697e-20 2.793058481274432e-20 -6.6025538325505924e-21 -5.049628121073984e-20 -1.3649919960333888e-19 -3.5433577927950724e-19 -6.831024218676672e-19 -1.278344682203904e-18 ] } }