{ "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" [ 6.06679 5.660293 5.408363 5.225322 5.081474 4.96296 4.862178 4.774506 4.696923 4.627344 4.564272 4.506592 4.453456 4.404198 4.358292 4.315309 4.274901 4.236775 4.200688 4.166433 4.133832 4.102733 4.073005 4.04453 4.025145 4.004743 3.983212 3.960418 3.936206 3.910386 3.882729 3.852955 3.820711 3.785552 3.746895 3.70397 3.655713 3.60061 3.536394 3.459439 3.363409 3.23562 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.06679e-10 5.660293e-10 5.408363e-10 5.225322e-10 5.081474e-10 4.96296e-10 4.862178e-10 4.774506e-10 4.696923e-10 4.627344e-10 4.564272e-10 4.506592000000001e-10 4.453456e-10 4.404198e-10 4.358292e-10 4.3153090000000004e-10 4.274901e-10 4.236775e-10 4.2006880000000006e-10 4.166433e-10 4.133832e-10 4.102733e-10 4.0730050000000004e-10 4.04453e-10 4.0251450000000003e-10 4.0047430000000004e-10 3.983212e-10 3.960418e-10 3.936206e-10 3.910386e-10 3.882729e-10 3.852955e-10 3.8207110000000005e-10 3.785552e-10 3.746895e-10 3.70397e-10 3.655713e-10 3.60061e-10 3.536394e-10 3.4594390000000005e-10 3.363409e-10 3.23562e-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" [ 1.73374 2.03271 2.22458 2.36923 2.48495 2.57899 2.66058 2.73474 2.80246 2.8645 2.92142 2.97327 3.02004 3.06279 3.10328 3.14268 3.18096 3.21696 3.24864 3.27409 3.29249 3.30409 3.31005 3.31184 3.31094 3.30774 3.30089 3.28791 3.26436 3.22316 3.15409 3.04283 2.86939 2.60539 2.20999 1.62401 0.761717 -0.495695 -2.28497 -4.61804 -6.50861 0.0923985 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.77775771743116e-19 3.2567604656981396e-19 3.5641700964637196e-19 3.7959249465718196e-19 3.9813288266582995e-19 4.13199751731966e-19 4.26271910888772e-19 4.38153652806516e-19 4.49003592971964e-19 4.589434968093e-19 4.68063086210028e-19 4.763703720573179e-19 4.83863752174536e-19 4.90713057284886e-19 4.97200270475952e-19 5.035128464139119e-19 5.09645978568864e-19 5.15413814451264e-19 5.20489510027776e-19 5.24567049561306e-19 5.275150545678659e-19 5.29373579463306e-19 5.3032847673717e-19 5.30615266354656e-19 5.304710704575959e-19 5.299583739347159e-19 5.28860882940426e-19 5.267812576694939e-19 5.23008131696424e-19 5.16407163964344e-19 5.05340929953306e-19 4.875151127234219e-19 4.59726961183326e-19 4.1742949804572594e-19 3.5407943393736595e-19 2.60195087538234e-19 1.2204051791205779e-19 -7.941909465906299e-20 -3.6609255433909796e-19 -7.398915782877359e-19 -1.042794286181874e-18 1.4803871771664898e-20 ] } }