{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 7.94581 7.413412 7.083453 6.84372 6.655319 6.500098 6.368102 6.253276 6.151664 6.060535 5.977928 5.902384 5.832789 5.768275 5.708151 5.651856 5.598932 5.548998 5.501734 5.456869 5.414171 5.37344 5.334504 5.29721 5.259508 5.220655 5.18058 5.139203 5.096436 5.052184 5.006338 4.958781 4.909378 4.857982 4.804425 4.748517 4.690041 4.628751 4.564362 4.496543 4.42491 4.349007 4.268292 4.182115 4.089681 3.99001 3.881872 3.763695 3.633421 3.488289 3.324468 3.136422 2.915724 2.6486 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.94581e-10 7.413412e-10 7.083453000000001e-10 6.84372e-10 6.655319000000001e-10 6.500098000000001e-10 6.368102000000001e-10 6.253276e-10 6.151664e-10 6.060535e-10 5.977928e-10 5.902384e-10 5.832789e-10 5.768275e-10 5.708151e-10 5.651856e-10 5.598932e-10 5.548998000000001e-10 5.501734e-10 5.456869e-10 5.414171e-10 5.373440000000001e-10 5.334504e-10 5.29721e-10 5.259508000000001e-10 5.220655000000001e-10 5.180580000000001e-10 5.139203e-10 5.096436e-10 5.052183999999999e-10 5.006338e-10 4.958781000000001e-10 4.909378000000001e-10 4.857982e-10 4.804425e-10 4.748517e-10 4.690041e-10 4.6287510000000005e-10 4.564362e-10 4.496543e-10 4.42491e-10 4.3490070000000003e-10 4.2682919999999997e-10 4.1821149999999996e-10 4.089681e-10 3.99001e-10 3.881872e-10 3.763695e-10 3.633421e-10 3.488289e-10 3.324468e-10 3.136422e-10 2.915724e-10 2.6486e-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" [ 1.13306 1.39201 1.58245 1.73561 1.86383 1.97359 2.06881 2.15211 2.22535 2.28992 2.34688 2.39709 2.44122 2.47984 2.51342 2.54237 2.56703 2.5877 2.60465 2.61811 2.62828 2.63535 2.63949 2.64083 2.63938 2.6347 2.62619 2.61317 2.59481 2.57013 2.53792 2.49674 2.44483 2.38002 2.29964 2.20039 2.07808 1.92748 1.74186 1.51257 1.22832 0.87415 0.430016 -0.131436 -0.848253 -1.77447 -2.98877 -4.60911 -6.81854 -9.91303 -14.3961 -21.1807 -32.064 -51.0016 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8153622569200398e-19 2.23024589629434e-19 2.5353644144733e-19 2.78075378773674e-19 2.98618487574822e-19 3.1620397830960595e-19 3.31459904218554e-19 3.44806035579774e-19 3.5654037724719e-19 3.66885631772928e-19 3.76011629880192e-19 3.8405615875950595e-19 3.91126564245348e-19 3.9731417040585594e-19 4.02694279542828e-19 4.07332580898258e-19 4.11283548477702e-19 4.1459524758017996e-19 4.1731093697480997e-19 4.19467466724174e-19 4.21096880360952e-19 4.2222961924118995e-19 4.2289292036766596e-19 4.2310761203662195e-19 4.22875296424692e-19 4.2212547775997997e-19 4.207620254444459e-19 4.18675991466978e-19 4.1573439516695393e-19 4.1178022323424195e-19 4.06619612296128e-19 4.00021848917316e-19 3.9170495001022197e-19 3.8132124324526797e-19 3.68442947461176e-19 3.52541344368726e-19 3.3294512195827195e-19 3.08816341850232e-19 2.79076739169924e-19 2.42340431128938e-19 1.96798560307488e-19 1.4005427046111e-19 6.88961587446144e-20 -2.1058368806642397e-20 -1.359051136320402e-19 -2.84301437173398e-19 -4.78853745840018e-19 -7.38460834553574e-19 -1.0924505465994358e-18 -1.5882425038141018e-18 -2.3065095040727398e-18 -3.39352226317638e-18 -5.1372191592576e-18 -8.17135718166144e-18 ] } }