{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.37155 8.743622 8.354457 8.071707 7.849501 7.666428 7.510747 7.375317 7.255472 7.147992 7.050562 6.961462 6.879381 6.803291 6.732378 6.665982 6.603561 6.544667 6.488922 6.436007 6.385648 6.337609 6.291686 6.2477 6.203233 6.157409 6.110143 6.061341 6.010901 5.958708 5.904637 5.848546 5.79028 5.729662 5.666495 5.600555 5.531586 5.459299 5.383357 5.30337 5.218884 5.129361 5.034164 4.932523 4.823504 4.705949 4.578408 4.439027 4.285378 4.114205 3.920989 3.699202 3.438904 3.12385 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.37155e-10 8.743622e-10 8.354457e-10 8.071707e-10 7.849501e-10 7.666428e-10 7.510747e-10 7.375317000000001e-10 7.255472000000001e-10 7.147992000000001e-10 7.050562000000001e-10 6.961462e-10 6.879381e-10 6.803291e-10 6.732378e-10 6.665982e-10 6.603561e-10 6.544667e-10 6.488922e-10 6.436007e-10 6.385648e-10 6.337609e-10 6.291686000000001e-10 6.2477e-10 6.203233e-10 6.157409000000001e-10 6.110143e-10 6.061341e-10 6.010901e-10 5.958708e-10 5.904637e-10 5.848546e-10 5.79028e-10 5.729662000000001e-10 5.666495e-10 5.600555e-10 5.531586e-10 5.459299e-10 5.383357e-10 5.30337e-10 5.218884000000001e-10 5.129361000000001e-10 5.034164e-10 4.932523e-10 4.823504e-10 4.705949e-10 4.578408e-10 4.439027e-10 4.2853779999999997e-10 4.114205e-10 3.9209890000000003e-10 3.699202e-10 3.438904e-10 3.12385e-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" [ 0.0347425 0.966345 1.76723 2.65262 3.37815 3.88992 4.23553 4.48016 4.66176 4.80286 4.91744 5.01447 5.09957 5.17448 5.2397 5.29583 5.34348 5.38325 5.41571 5.4414 5.46082 5.47442 5.48259 5.48532 5.48228 5.47222 5.45362 5.4247 5.38337 5.3272 5.25332 5.15837 5.03824 4.88495 4.68525 4.42251 4.07579 3.61869 3.03542 2.37744 1.72491 1.18491 0.825343 0.538838 0.110353 -0.829227 -2.66005 -5.18125 -7.6904 -10.3726 -14.9615 -23.3322 -36.9553 -61.6857 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.5663621706745004e-21 1.54825537938273e-19 2.83141461290382e-19 4.24996578288108e-19 5.4123929961471e-19 6.232338932129279e-19 6.786067198606019e-19 7.178007668581439e-19 7.46896294531584e-19 7.695030068373239e-19 7.87860746709696e-19 8.03406666589398e-19 8.17041189744738e-19 8.29043094910032e-19 8.3949249091698e-19 8.484855083636219e-19 8.561198800246319e-19 8.6249173649805e-19 8.676924018520139e-19 8.718083936247598e-19 8.74919820647988e-19 8.77098780870228e-19 8.78407759180206e-19 8.78845153401288e-19 8.78358091704552e-19 8.76746302010748e-19 8.73766253471508e-19 8.691327586459799e-19 8.625109626176579e-19 8.5351153646448e-19 8.4167465549248805e-19 8.264619883526579e-19 8.07215040448416e-19 7.826552748258299e-19 7.5065980744484995e-19 7.08564218563134e-19 6.530135503090859e-19 5.79778056368946e-19 4.86327899837628e-19 3.80907881673696e-19 2.7636104977529397e-19 1.8984351153929397e-19 1.322345269635462e-19 8.63313653111292e-20 1.76804998091802e-20 -1.3285681236819179e-19 -4.2618699552716997e-19 -8.3012776849125e-19 -1.23213791861136e-18 -1.6618737353828399e-18 -2.3970965709590995e-18 -3.73823056598148e-18 -5.92089181624602e-18 -9.88313871919338e-18 ] } }