{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" ] } "a" { "source-value" [ 8.29283 7.737179 7.392809 7.142606 6.945976 6.783975 6.646214 6.526373 6.420323 6.325214 6.238999 6.160155 6.087521 6.02019 5.957439 5.898685 5.84345 5.791335 5.742006 5.695182 5.650619 5.60811 5.567473 5.52855 5.502052 5.474165 5.444733 5.413577 5.38048 5.345187 5.307382 5.266683 5.222609 5.174549 5.121709 5.063033 4.99707 4.92175 4.833971 4.728781 4.597517 4.42284 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.292830000000001e-10 7.737179e-10 7.392809e-10 7.142606e-10 6.945976e-10 6.783975e-10 6.646214e-10 6.526373000000001e-10 6.420323e-10 6.325214e-10 6.238999e-10 6.160155e-10 6.087521e-10 6.02019e-10 5.957439000000001e-10 5.898685000000001e-10 5.84345e-10 5.791335e-10 5.742006e-10 5.695182000000001e-10 5.650619e-10 5.608110000000001e-10 5.567473e-10 5.528550000000001e-10 5.502052e-10 5.474165000000001e-10 5.444733e-10 5.413577000000001e-10 5.380480000000001e-10 5.345187e-10 5.307382e-10 5.266683e-10 5.222609000000001e-10 5.174549e-10 5.121709e-10 5.063033e-10 4.99707e-10 4.92175e-10 4.833971e-10 4.728780999999999e-10 4.597517e-10 4.42284e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.10792 1.65545 2.13997 2.58337 2.99533 3.38072 3.74399 4.08585 4.40699 4.70883 4.99106 5.25373 5.49702 5.72112 5.92537 6.10952 6.27331 6.41686 6.5393 6.64023 6.71924 6.77622 6.81133 6.82314 6.81719 6.79718 6.75909 6.69761 6.60561 6.47341 6.28759 6.02919 5.671 5.17304 4.47207 3.4685 1.99593 -0.242341 -3.81378 -9.93293 -21.6013 -48.1726 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7750835217167361e-19 2.65232328690336e-19 3.428609903213376e-19 4.139015016876096e-19 4.799047697580864e-19 5.416510545470976e-19 5.998533246508993e-19 6.54625334609568e-19 7.060776346099393e-19 7.544377337321664e-19 7.996559645010048e-19 8.417403377995585e-19 8.807196928070016e-19 9.166244708791296e-19 9.493489283589696e-19 9.788530108310016e-19 1.005095061703085e-18 1.0280943070946688e-18 1.047711357639744e-18 1.0638821262734785e-18 1.0765409237544194e-18 1.0856701261397377e-18 1.0912953682553664e-18 1.0931875388445314e-18 1.0922342437551553e-18 1.0890282883369344e-18 1.0829255975883071e-18 1.0730754157236288e-18 1.058335390812269e-18 1.0371546158852929e-18 1.0073829699175872e-18 9.659827260361152e-19 9.085943616556801e-19 8.288123746463233e-19 7.165046000581057e-19 5.557149609244801e-19 3.1978323827533444e-19 -3.882730844612928e-20 -6.110349152874624e-19 -1.5914308222042947e-18 -3.460909783888704e-18 -7.71810134831501e-18 ] } }