{ "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" [ 6.22368 5.80667 5.548225 5.36045 5.212882 5.091302 4.987914 4.897975 4.818385 4.747007 4.682303 4.623132 4.568621 4.51809 4.470996 4.426902 4.385449 4.346337 4.309317 4.274175 4.240731 4.208829 4.178331 4.14912 4.119589 4.089157 4.057768 4.025359 3.991861 3.9572 3.921291 3.884041 3.845346 3.805089 3.76314 3.719348 3.673546 3.62554 3.575107 3.521987 3.465879 3.406427 3.343206 3.275706 3.203306 3.125238 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.22368e-10 5.806670000000001e-10 5.548225e-10 5.360450000000001e-10 5.212882e-10 5.091302e-10 4.987914e-10 4.897975e-10 4.818385e-10 4.747007e-10 4.682303e-10 4.623132e-10 4.5686210000000006e-10 4.51809e-10 4.4709960000000007e-10 4.426902e-10 4.3854490000000003e-10 4.346337e-10 4.309317e-10 4.274175e-10 4.240731e-10 4.208829e-10 4.178331e-10 4.14912e-10 4.1195890000000005e-10 4.0891570000000005e-10 4.0577680000000003e-10 4.025359e-10 3.9918610000000004e-10 3.9572e-10 3.9212910000000004e-10 3.884041e-10 3.8453460000000003e-10 3.805089e-10 3.76314e-10 3.719348e-10 3.673546e-10 3.62554e-10 3.575107e-10 3.5219870000000003e-10 3.4658790000000004e-10 3.406427e-10 3.343206e-10 3.275706e-10 3.203306e-10 3.125238e-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" [ 1.09119 1.66853 2.14672 2.54281 2.88125 3.17396 3.43132 3.66023 3.86447 4.04492 4.20154 4.33526 4.44758 4.541 4.61795 4.68065 4.7311 4.7711 4.80225 4.82604 4.8436 4.85545 4.86196 4.86374 4.86025 4.85093 4.83479 4.81071 4.77695 4.73151 4.67211 4.59606 4.50007 4.38011 4.23113 4.04624 3.8165 3.52989 3.17078 2.71924 2.15071 1.4309 0.514677 -0.661891 -2.18963 -4.20189 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7482791212544602e-19 2.67327977912802e-19 3.43942462374048e-19 4.0740307667015393e-19 4.6162714267125e-19 5.08524454925064e-19 5.49758072777688e-19 5.864334981065819e-19 6.191563536793979e-19 6.48067631039928e-19 6.731609214816359e-19 6.94585227431484e-19 7.12580875384572e-19 7.275484094994e-19 7.3987715869803e-19 7.4992280619321e-19 7.580057873117398e-19 7.644144938477399e-19 7.6940527406265e-19 7.732168522749359e-19 7.7603027444424e-19 7.7792885375552995e-19 7.7897187074426395e-19 7.79257058185116e-19 7.786978985398499e-19 7.772046699169619e-19 7.74618756829686e-19 7.70760715495014e-19 7.6535176717863e-19 7.580714765537339e-19 7.485545473477739e-19 7.363699940462039e-19 7.20990700536438e-19 7.01770989634974e-19 6.77901762141642e-19 6.48279118355616e-19 6.114707123661e-19 5.655507278590259e-19 5.08014962755452e-19 4.35670279023816e-19 3.44581730851014e-19 2.2925545455906e-19 8.246034634572181e-20 -1.0604662944548939e-19 -3.50817402310542e-19 -6.732169976638259e-19 ] } }