{ "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 8.24847 7.695792 7.353264 7.1044 6.908822 6.747688 6.610664 6.491464 6.385981 6.291381 6.205628 6.127206 6.05496 5.987989 5.925574 5.867135 5.812195 5.760359 5.711294 5.66472 5.620396 5.578114 5.537694 5.49898 5.459842 5.419509 5.377908 5.334954 5.290559 5.244621 5.197029 5.147661 5.096377 5.043023 4.987426 4.929388 4.868685 4.805061 4.738219 4.667818 4.593456 4.514662 4.430873 4.341413 4.245458 4.141991 4.029735 3.907057 3.771821 3.621161 3.4511 3.255892 3.026788 2.74949 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.24847e-10 7.695792e-10 7.353264000000001e-10 7.104400000000001e-10 6.908822e-10 6.747688000000001e-10 6.610664e-10 6.491464e-10 6.385981000000001e-10 6.291381000000001e-10 6.205628e-10 6.127206e-10 6.054960000000001e-10 5.987989e-10 5.925574000000001e-10 5.867135e-10 5.812195e-10 5.760359e-10 5.711294e-10 5.66472e-10 5.620396e-10 5.578114000000001e-10 5.537694000000001e-10 5.49898e-10 5.459842e-10 5.419509e-10 5.377908e-10 5.334954e-10 5.290559000000001e-10 5.244621e-10 5.197029e-10 5.147661000000001e-10 5.096377000000001e-10 5.043023e-10 4.987426000000001e-10 4.929388000000001e-10 4.868685e-10 4.805061e-10 4.738219e-10 4.667818e-10 4.593456e-10 4.5146620000000007e-10 4.4308730000000004e-10 4.341413e-10 4.2454580000000005e-10 4.141991e-10 4.029735e-10 3.907057e-10 3.7718210000000003e-10 3.621161e-10 3.4511e-10 3.255892e-10 3.026788e-10 2.74949e-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" [ 0.373261 0.42874 0.477311 0.555732 0.626981 0.69092 0.746079 0.791536 0.827872 0.873498 0.916536 0.95395 0.986184 1.01407 1.03827 1.05926 1.07736 1.09277 1.10562 1.11599 1.12396 1.12956 1.13289 1.13397 1.13278 1.12893 1.12192 1.11041 1.09682 1.08183 1.06316 1.03928 1.00907 0.971511 0.925588 0.870157 0.803084 0.738438 0.667974 0.585385 0.486951 0.368936 0.226158 0.0476912 -0.118622 -0.303366 -0.518832 -0.747112 -1.05396 -1.46383 -2.03766 -2.97596 -4.64092 -8.15743 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.98030052583474e-20 6.8691721006116e-20 7.64736531351174e-20 8.90380825166088e-20 1.004534308161954e-19 1.10697587996328e-19 1.195350340918086e-19 1.268180484169824e-19 1.326397174342848e-19 1.399498085445732e-19 1.4684525634198239e-19 1.5283964000043e-19 1.5800409616246559e-19 1.62471925924038e-19 1.66349193378318e-19 1.69712162133084e-19 1.72612101840624e-19 1.75081056033618e-19 1.77139853008308e-19 1.7880131017776598e-19 1.80078244955064e-19 1.8097546387010396e-19 1.8150898868922598e-19 1.8168202376569798e-19 1.8149136474625196e-19 1.80874526742162e-19 1.79751400921728e-19 1.7790729561599396e-19 1.7572993757038798e-19 1.73328274796022e-19 1.70337011020344e-19 1.6651101321835198e-19 1.6167083760703797e-19 1.556532223873974e-19 1.4829554663107919e-19 1.3941452133115378e-19 1.286682419939256e-19 1.183108109257692e-19 1.0702123349195159e-19 9.3789016889409e-20 7.80181514102934e-20 5.911006386414239e-20 3.62345063192172e-20 7.64097262874208e-21 -1.90053396678348e-20 -4.86045916750044e-20 -8.312605073714879e-20 -1.1970053893810078e-19 -1.68863008517064e-19 -2.34531422214822e-19 -3.2646912400364394e-19 -4.76801357571864e-19 -7.435573584263281e-19 -1.306964373949062e-18 ] } }