{ "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" [ "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 6.22129 5.804441 5.546095 5.358393 5.210882 5.089349 4.986 4.896096 4.816537 4.745186 4.680508 4.621359 4.56687 4.516358 4.469282 4.425205 4.383768 4.344671 4.307665 4.272537 4.239106 4.207216 4.17673 4.14753 4.127651 4.10673 4.08465 4.061276 4.036447 4.00997 3.981609 3.951076 3.918011 3.881956 3.842316 3.798297 3.748811 3.692305 3.626453 3.547539 3.449064 3.31802 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.22129e-10 5.804441e-10 5.546095000000001e-10 5.358393000000001e-10 5.210882e-10 5.089349e-10 4.986e-10 4.896096e-10 4.816537e-10 4.745186000000001e-10 4.680508e-10 4.621359e-10 4.56687e-10 4.5163580000000006e-10 4.4692819999999997e-10 4.4252050000000004e-10 4.383768e-10 4.344671e-10 4.307665e-10 4.272537e-10 4.2391059999999997e-10 4.207216e-10 4.1767300000000004e-10 4.1475299999999996e-10 4.1276510000000005e-10 4.10673e-10 4.08465e-10 4.0612760000000003e-10 4.036447e-10 4.0099700000000004e-10 3.9816090000000003e-10 3.951076e-10 3.918011e-10 3.881956e-10 3.842316e-10 3.798297e-10 3.748811e-10 3.6923050000000003e-10 3.6264530000000004e-10 3.547539e-10 3.449064e-10 3.3180200000000005e-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" [ 1.14389 2.04794 2.51469 2.8628 3.15216 3.39816 3.61047 3.79539 3.95691 4.09803 4.22129 4.32875 4.42206 4.50272 4.57206 4.63119 4.68107 4.72234 4.7556 4.78163 4.80167 4.81612 4.82471 4.82743 4.82621 4.8223 4.81514 4.80426 4.7891 4.76881 4.74224 4.70777 4.66231 4.60158 4.51955 4.40718 4.25043 4.02614 3.69114 3.16611 2.30374 0.761988 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.8327138147669123e-19 3.2811615888011524e-19 4.028977526559552e-19 4.586711230026241e-19 5.050317057020928e-19 5.444452505737728e-19 5.784610624099776e-19 6.080885124818112e-19 6.339668692609728e-19 6.565767857337024e-19 6.763252147616832e-19 6.935422047288001e-19 7.084921147774848e-19 7.214152714008577e-19 7.325247640894848e-19 7.419984344482753e-19 7.499900914328257e-19 7.566022743468672e-19 7.619311137876481e-19 7.6610157953159045e-19 7.693123414796735e-19 7.716274866967296e-19 7.730037564139968e-19 7.734395484548544e-19 7.732440829071168e-19 7.7261763184838405e-19 7.714704733878913e-19 7.697273052244609e-19 7.672984054673281e-19 7.640475891037249e-19 7.597906058222592e-19 7.542679030103617e-19 7.469844080922048e-19 7.372543894740865e-19 7.24111734653664e-19 7.061080759657345e-19 6.809939574346944e-19 6.450587380067712e-19 5.913858212099713e-19 5.072667420881089e-19 3.690998368401792e-19 1.2208393589301506e-19 ] } }