{ "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" [ 7.81144 7.288045 6.963666 6.727988 6.542773 6.390176 6.260412 6.147528 6.047634 5.958047 5.876836 5.80257 5.734152 5.670729 5.611621 5.556279 5.50425 5.45516 5.408695 5.364589 5.322613 5.282571 5.244293 5.20763 5.170565 5.13237 5.092972 5.052295 5.010251 4.966747 4.921677 4.874924 4.826357 4.77583 4.723178 4.668215 4.610729 4.550475 4.487175 4.420503 4.350082 4.275462 4.196112 4.111392 4.020521 3.922536 3.816227 3.700048 3.571977 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.811440000000001e-10 7.288045000000001e-10 6.963666e-10 6.727988e-10 6.542773000000001e-10 6.390176000000001e-10 6.260412e-10 6.147528e-10 6.047634e-10 5.958047e-10 5.876836e-10 5.80257e-10 5.734152e-10 5.670729e-10 5.611621000000001e-10 5.556279e-10 5.50425e-10 5.455160000000001e-10 5.408695e-10 5.364589e-10 5.322613e-10 5.282571e-10 5.244293e-10 5.20763e-10 5.170565e-10 5.132370000000001e-10 5.092972e-10 5.052295e-10 5.010251000000001e-10 4.966747e-10 4.921677e-10 4.874924e-10 4.826357e-10 4.77583e-10 4.723178e-10 4.668215e-10 4.6107290000000004e-10 4.5504749999999997e-10 4.487175e-10 4.4205030000000003e-10 4.350082e-10 4.275462e-10 4.1961120000000003e-10 4.1113920000000004e-10 4.0205209999999997e-10 3.922536e-10 3.816227e-10 3.700048e-10 3.571977e-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" [ 0.627526 0.921927 1.19118 1.42285 1.61536 1.78171 1.93042 2.06639 2.19158 2.30582 2.40841 2.49928 2.57902 2.64857 2.70881 2.76077 2.80477 2.84154 2.87156 2.89526 2.91306 2.92535 2.93247 2.93478 2.93233 2.9247 2.91065 2.88933 2.85952 2.81978 2.76837 2.70331 2.62234 2.52279 2.40104 2.25246 2.0712 1.85016 1.57901 1.2445 0.829658 0.313179 -0.333723 -1.15027 -2.19489 -3.5566 -5.36956 -7.84068 -11.3016 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.005407494427484e-19 1.477089897653718e-19 1.9084807628881197e-19 2.2796570236869e-19 2.5880920474982397e-19 2.8546141305641395e-19 3.0928738178062797e-19 3.31072177473126e-19 3.51129826754172e-19 3.69433092620988e-19 3.8586982270919397e-19 4.00428801782352e-19 4.1320455826186793e-19 4.2434769675133796e-19 4.33999208794554e-19 4.42324118584818e-19 4.49373695774418e-19 4.55264899257636e-19 4.60074633512904e-19 4.63871792135484e-19 4.66723666544004e-19 4.686927416271899e-19 4.698334913905979e-19 4.702035941930519e-19 4.698110609177219e-19 4.6858860014598e-19 4.6633754197521e-19 4.62921701391522e-19 4.58145612845568e-19 4.51778562902052e-19 4.43541772826658e-19 4.33118011645854e-19 4.2014518744035595e-19 4.04195519048886e-19 3.84689018529936e-19 3.60883878101964e-19 3.3184282443408e-19 2.96428312116144e-19 2.5298529268523397e-19 1.9939088210129997e-19 1.3292586618111718e-19 5.0176807605948597e-20 -5.3468319282838195e-20 -1.8429357167911798e-19 -3.51660147220026e-19 -5.698301416484399e-19 -8.602983566861039e-19 -1.256215429067112e-18 -1.81071594468144e-18 ] } }