{ "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" [ "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 6.06697 5.660461 5.408523 5.225477 5.081625 4.963107 4.862322 4.774648 4.697062 4.627481 4.564407 4.506726 4.453588 4.404329 4.358421 4.315437 4.275028 4.236901 4.200813 4.166556 4.133955 4.102855 4.073125 4.04465 4.025265 4.004862 3.98333 3.960536 3.936323 3.910503 3.882845 3.85307 3.820826 3.785665 3.747008 3.704081 3.655823 3.600719 3.536501 3.459544 3.363512 3.23572 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.066970000000001e-10 5.660461e-10 5.408523e-10 5.225477e-10 5.081625e-10 4.963107e-10 4.862322e-10 4.774648e-10 4.697062e-10 4.6274810000000005e-10 4.5644070000000004e-10 4.5067259999999996e-10 4.453588e-10 4.404329e-10 4.358421e-10 4.3154370000000003e-10 4.275028e-10 4.236901e-10 4.200813e-10 4.1665560000000003e-10 4.1339550000000005e-10 4.102855e-10 4.0731250000000003e-10 4.04465e-10 4.0252650000000003e-10 4.004862e-10 3.9833300000000003e-10 3.960536e-10 3.9363229999999997e-10 3.910503e-10 3.882845e-10 3.85307e-10 3.820826e-10 3.785665e-10 3.747008e-10 3.7040810000000003e-10 3.655823e-10 3.600719e-10 3.536501e-10 3.4595440000000004e-10 3.363512e-10 3.23572e-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" [ 1.28749 1.65395 1.92204 2.13541 2.31246 2.46292 2.5927 2.7057 2.80467 2.89164 2.96815 3.03542 3.09443 3.14599 3.19075 3.22929 3.26209 3.28955 3.31205 3.3299 3.34338 3.35274 3.35822 3.36 3.35914 3.3563 3.35104 3.3428 3.33084 3.31423 3.29171 3.26163 3.22169 3.16871 3.0981 3.00306 2.87309 2.69123 2.42816 2.02904 1.37841 0.186383 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.0627863775137922e-19 2.6499200219721604e-19 3.079447552242432e-19 3.4213039778225277e-19 3.7049693485351685e-19 3.946032842900736e-19 4.1539633247481597e-19 4.3350092828985607e-19 4.493576703059137e-19 4.632918003770113e-19 4.75550053702752e-19 4.863278958308736e-19 4.957823400702144e-19 5.040431627270592e-19 5.1121450528176e-19 5.173892939783233e-19 5.226444332945473e-19 5.270440102952641e-19 5.306489076920641e-19 5.33508792960192e-19 5.356685270450304e-19 5.371681643620992e-19 5.380461571502976e-19 5.383313445888e-19 5.381935573994113e-19 5.37738539239104e-19 5.368957943365632e-19 5.35575600801024e-19 5.336593975625472e-19 5.309981821953984e-19 5.273900804453569e-19 5.225707331699904e-19 5.161716397465153e-19 5.076833080095168e-19 4.96370338890048e-19 4.811432522859648e-19 4.603197627454272e-19 4.3118257871955843e-19 3.8903411835617283e-19 3.2508804506680325e-19 2.208456275876928e-19 2.986184851145664e-20 ] } }