{ "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" [ "Cr" "Cr" ] } "a" { "source-value" [ 4.32006 4.0306 3.851204 3.720864 3.618432 3.53404 3.462274 3.399845 3.344599 3.295053 3.25014 3.209067 3.17123 3.136154 3.103465 3.072858 3.044083 3.016935 2.991238 2.966845 2.943631 2.921486 2.900316 2.88004 2.859542 2.838418 2.816629 2.794133 2.770881 2.746822 2.721896 2.69604 2.66918 2.641237 2.612118 2.581721 2.549929 2.516606 2.481598 2.444726 2.40578 2.364513 2.320629 2.273775 2.22352 2.16933 2.110537 2.046285 1.975457 1.89655 1.807482 1.705243 1.585252 1.44002 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.32006e-10 4.0306e-10 3.8512040000000003e-10 3.7208640000000005e-10 3.618432e-10 3.53404e-10 3.462274e-10 3.3998450000000004e-10 3.344599e-10 3.295053e-10 3.2501400000000003e-10 3.209067e-10 3.17123e-10 3.136154e-10 3.103465e-10 3.0728580000000004e-10 3.044083e-10 3.0169350000000005e-10 2.991238e-10 2.9668450000000004e-10 2.943631e-10 2.921486e-10 2.900316e-10 2.88004e-10 2.8595419999999997e-10 2.838418e-10 2.816629e-10 2.794133e-10 2.7708810000000004e-10 2.746822e-10 2.721896e-10 2.69604e-10 2.66918e-10 2.641237e-10 2.6121180000000003e-10 2.581721e-10 2.549929e-10 2.516606e-10 2.481598e-10 2.4447260000000004e-10 2.40578e-10 2.364513e-10 2.320629e-10 2.2737750000000002e-10 2.2235200000000003e-10 2.16933e-10 2.110537e-10 2.046285e-10 1.975457e-10 1.89655e-10 1.8074820000000002e-10 1.7052430000000002e-10 1.5852520000000002e-10 1.44002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.859617 1.31725 1.69045 2.00763 2.28291 2.5247 2.73873 2.92898 3.0985 3.24964 3.38427 3.50394 3.60991 3.7033 3.78492 3.85591 3.91627 3.96749 4.00951 4.04299 4.06856 4.08614 4.09655 4.10002 4.09634 4.08446 4.06281 4.02958 3.98257 3.91926 3.83775 3.73633 3.61298 3.46518 3.28982 3.08294 2.83958 2.55304 2.21488 1.81356 1.33364 0.753523 0.0436903 -0.837545 -1.95387 -3.39563 -5.30287 -7.89529 -11.5293 -16.8114 -24.8224 -37.6187 -59.4465 -100.13 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.377258271589178e-19 2.1104671711364998e-19 2.7083994909453e-19 3.2165778757174197e-19 3.65762505952494e-19 4.0450153478598e-19 4.387929212834819e-19 4.69274331745332e-19 4.964344300449e-19 5.20649727691176e-19 5.42219831714718e-19 5.61393079493796e-19 5.78371345284294e-19 5.9333407286922e-19 6.06411038555928e-19 6.17784890480694e-19 6.274556286435179e-19 6.35661977362866e-19 6.423943235789339e-19 6.477584109495659e-19 6.5185517660270395e-19 6.546718031252761e-19 6.563396690012699e-19 6.568956242932679e-19 6.563060232919559e-19 6.54402637450764e-19 6.509339250381539e-19 6.45609892083372e-19 6.380780597269379e-19 6.27934679457084e-19 6.1487533771335e-19 5.9862606229132195e-19 5.788632135109319e-19 5.551830428604119e-19 5.27087273406588e-19 4.93941443202396e-19 4.54950872637372e-19 4.09042103366736e-19 3.5486289831139197e-19 2.90564345635704e-19 2.1367268461677597e-19 1.207276943781582e-19 6.99995777924502e-21 -1.34189502892353e-19 -3.13044485987358e-19 -5.44039904370942e-19 -8.49613440713958e-19 -1.264964915665386e-18 -1.84719750663762e-18 -2.6934832264827595e-18 -3.976986927980159e-18 -6.027180214145579e-18 -9.524379327308099e-18 -1.6042594636242e-17 ] } }