{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Zr" "Zr" ] } "a" { "source-value" [ 5.38315 5.02246 4.798918 4.636504 4.508865 4.403706 4.31428 4.236488 4.167647 4.105909 4.049944 3.998764 3.951615 3.907909 3.867175 3.829036 3.793181 3.759352 3.727331 3.696936 3.668009 3.640415 3.614036 3.58877 3.563227 3.536905 3.509755 3.481723 3.452749 3.422769 3.391709 3.35949 3.32602 3.291201 3.254916 3.217039 3.177423 3.1359 3.092277 3.046332 2.997801 2.946378 2.891695 2.833311 2.770689 2.703163 2.629902 2.549839 2.46158 2.363256 2.252269 2.124871 1.975352 1.79438 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.38315e-10 5.02246e-10 4.798917999999999e-10 4.6365040000000007e-10 4.5088650000000005e-10 4.403706e-10 4.31428e-10 4.2364879999999996e-10 4.1676469999999996e-10 4.1059089999999995e-10 4.049944e-10 3.998764e-10 3.951615e-10 3.9079090000000003e-10 3.867175e-10 3.829036e-10 3.793181e-10 3.759352e-10 3.727331e-10 3.696936e-10 3.6680090000000004e-10 3.6404150000000003e-10 3.614036e-10 3.58877e-10 3.563227e-10 3.536905e-10 3.509755e-10 3.481723e-10 3.452749e-10 3.4227690000000003e-10 3.391709e-10 3.35949e-10 3.3260200000000004e-10 3.2912010000000003e-10 3.254916e-10 3.2170390000000004e-10 3.1774230000000004e-10 3.1359e-10 3.092277e-10 3.046332e-10 2.997801e-10 2.9463780000000005e-10 2.891695e-10 2.8333110000000003e-10 2.770689e-10 2.703163e-10 2.629902e-10 2.549839e-10 2.4615800000000004e-10 2.363256e-10 2.2522690000000003e-10 2.1248710000000001e-10 1.9753520000000002e-10 1.79438e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.83919 2.83389 3.48795 3.96497 4.33474 4.63297 4.88029 5.08974 5.26977 5.42452 5.55685 5.66936 5.76438 5.84441 5.91473 5.97856 6.03541 6.0848 6.12651 6.16052 6.18684 6.20554 6.2167 6.22039 6.21635 6.20314 6.17895 6.14167 6.08885 6.01762 5.92462 5.8059 5.65855 5.48465 5.28211 5.04144 4.75134 4.39987 3.9683 3.43392 2.76846 1.93676 0.895746 -0.410397 -2.05534 -4.13015 -6.76326 -10.1536 -14.54 -20.2511 -28.3498 -41.9461 -67.3111 -124.989 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.94670724348646e-19 4.540392341326259e-19 5.5883119905603e-19 6.35258228851098e-19 6.945019142465159e-19 7.42283628002298e-19 7.819086605143859e-19 8.15466250113516e-19 8.44310236055418e-19 8.69103919466568e-19 8.9030552286429e-19 9.08331612173424e-19 9.23555494549692e-19 9.36377714151594e-19 9.47644220241882e-19 9.57870913696704e-19 9.669792878609938e-19 9.7489243825632e-19 9.815751169967338e-19 9.87024119728968e-19 9.91241048629656e-19 9.942371189352359e-19 9.9602514805878e-19 9.96616351236726e-19 9.9596907187659e-19 9.93852596543076e-19 9.8997693126543e-19 9.84004016773878e-19 9.755413197930898e-19 9.64129015629108e-19 9.49228772932908e-19 9.3020773193406e-19 9.0659965923207e-19 8.7873780756681e-19 8.46287322021774e-19 8.077277369712959e-19 7.612485928189559e-19 7.049368906637579e-19 6.357917536702199e-19 5.50174638702528e-19 4.43556192416364e-19 3.10303161766584e-19 1.435143311198964e-19 -6.575284840636979e-20 -3.29301772292556e-19 -6.6172298249151e-19 -1.083593714166684e-18 -1.62678606709824e-18 -2.3295648258359997e-18 -3.24458392327974e-18 -4.54213871385732e-18 -6.7205061307427395e-18 -1.078442716288374e-17 -2.00254455307026e-17 ] } }