{ "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" [ "Ti" "Ti" ] } "a" { "source-value" [ 4.88862 4.561064 4.358059 4.210564 4.094651 3.999152 3.917942 3.847296 3.784779 3.728712 3.677889 3.63141 3.588593 3.548901 3.51191 3.477274 3.444713 3.413991 3.384912 3.357309 3.33104 3.30598 3.282025 3.25908 3.24346 3.22702 3.20967 3.191303 3.171792 3.150987 3.128701 3.104709 3.078727 3.050395 3.019246 2.984656 2.945771 2.901369 2.849623 2.787613 2.710233 2.60726 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.88862e-10 4.5610640000000003e-10 4.358059e-10 4.210564e-10 4.0946509999999997e-10 3.999152e-10 3.917942e-10 3.847296e-10 3.784779e-10 3.728712e-10 3.677889e-10 3.63141e-10 3.588593e-10 3.548901e-10 3.51191e-10 3.477274e-10 3.444713e-10 3.4139910000000005e-10 3.384912e-10 3.357309e-10 3.33104e-10 3.30598e-10 3.282025e-10 3.25908e-10 3.24346e-10 3.22702e-10 3.20967e-10 3.191303e-10 3.171792e-10 3.1509870000000003e-10 3.128701e-10 3.1047090000000004e-10 3.0787270000000003e-10 3.050395e-10 3.019246e-10 2.9846560000000005e-10 2.9457710000000004e-10 2.901369e-10 2.849623e-10 2.787613e-10 2.7102330000000003e-10 2.60726e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.628 2.1868 2.59475 2.91655 3.18051 3.40209 3.59088 3.75332 3.89395 4.01617 4.12256 4.21516 4.2956 4.36522 4.42514 4.47627 4.51943 4.55528 4.58442 4.60737 4.62458 4.63645 4.64334 4.64557 4.6445 4.64099 4.63452 4.62441 4.60984 4.58972 4.56262 4.52666 4.4793 4.41699 4.33473 4.22516 4.07711 3.87273 3.58183 3.14893 2.46016 1.23825 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.6083435386624e-19 3.50363983436544e-19 4.1572477868208e-19 4.672828223394241e-19 5.095738764220608e-19 5.450749059857472e-19 5.753223984098304e-19 6.013481554381056e-19 6.23879565256416e-19 6.434613679158337e-19 6.605069249845249e-19 6.753430804931329e-19 6.882309892308481e-19 6.993853428648576e-19 7.089855851766913e-19 7.171775142388417e-19 7.240925085342144e-19 7.298363117197824e-19 7.345050543927936e-19 7.381820497375297e-19 7.409393957019264e-19 7.42841179350816e-19 7.439450790425473e-19 7.443023644289857e-19 7.4413093153056e-19 7.435685675366593e-19 7.425319592630016e-19 7.409121586993729e-19 7.385777873628672e-19 7.353542080018177e-19 7.310123093594497e-19 7.252508822310528e-19 7.176629737549441e-19 7.076798112307393e-19 6.945003063480385e-19 6.769452571139328e-19 6.5322503224298885e-19 6.204797464670784e-19 5.738724285680064e-19 5.045142026535744e-19 3.9416108354273285e-19 1.9838952007056003e-19 ] } }