{ "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" [ "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 5.51169 5.142386 4.913507 4.747214 4.616527 4.508856 4.417296 4.337646 4.267161 4.203949 4.146647 4.094245 4.04597 4.00122 3.959514 3.920464 3.883753 3.849115 3.81633 3.785209 3.755591 3.727338 3.700329 3.67446 3.656849 3.638314 3.618753 3.598045 3.576048 3.552591 3.527465 3.500415 3.471122 3.43918 3.404061 3.365063 3.321222 3.271161 3.212821 3.142908 3.055666 2.93957 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.51169e-10 5.142386e-10 4.913507e-10 4.747214e-10 4.616527e-10 4.5088559999999997e-10 4.4172960000000006e-10 4.3376460000000003e-10 4.267161e-10 4.203949e-10 4.146647e-10 4.094245e-10 4.0459699999999995e-10 4.0012200000000003e-10 3.959514e-10 3.920464e-10 3.883753e-10 3.849115e-10 3.81633e-10 3.7852090000000003e-10 3.755591e-10 3.7273380000000004e-10 3.700329e-10 3.6744599999999997e-10 3.656849e-10 3.638314e-10 3.618753e-10 3.5980450000000003e-10 3.576048e-10 3.552591e-10 3.527465e-10 3.500415e-10 3.471122e-10 3.43918e-10 3.404061e-10 3.365063e-10 3.321222e-10 3.2711610000000005e-10 3.212821e-10 3.142908e-10 3.055666e-10 2.93957e-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" [ 0.197952 0.755183 1.15638 1.50534 1.85931 2.18881 2.48118 2.73566 2.95263 3.13467 3.28641 3.41329 3.51969 3.60892 3.68357 3.74569 3.79689 3.83853 3.87168 3.89725 3.91601 3.9286 3.93568 3.93793 3.93686 3.9334 3.92708 3.91729 3.90329 3.88408 3.85839 3.82447 3.77995 3.7215 3.64427 3.54097 3.39933 3.1956 2.88581 2.38102 1.47648 -0.377031 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.171540664406016e-20 1.2099365470256066e-19 1.852725000760704e-19 2.411820554355072e-19 2.9789430128196484e-19 3.5068602093732483e-19 3.9752885879965443e-19 4.383010494457728e-19 4.730634755872705e-19 5.022294987923136e-19 5.265409268363328e-19 5.468693438010433e-19 5.639165030463553e-19 5.782127250337536e-19 5.901729735080256e-19 6.001256946764353e-19 6.083288389749312e-19 6.150003024239424e-19 6.203115179218945e-19 6.244082835412801e-19 6.274139668819008e-19 6.29431107247488e-19 6.305654482950145e-19 6.309259380346945e-19 6.307545051362688e-19 6.30200152025472e-19 6.291875764011264e-19 6.276190454893633e-19 6.253759982202433e-19 6.222982169316864e-19 6.181822251928513e-19 6.127476420950976e-19 6.05614751779296e-19 5.9625002943072e-19 5.838764193882817e-19 5.673259348954177e-19 5.446327052384064e-19 5.119915609428481e-19 4.623577314070849e-19 3.814814577657216e-19 2.3655817370787843e-19 -6.040702535168449e-20 ] } }