{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 8.21864 7.66796 7.326671 7.078706 6.883835 6.723284 6.586755 6.467986 6.362885 6.268627 6.183183 6.105045 6.03306 5.966331 5.904142 5.845914 5.791173 5.739524 5.690637 5.644231 5.600067 5.557938 5.517664 5.47909 5.452829 5.425191 5.396023 5.365145 5.332345 5.297367 5.259901 5.219566 5.175886 5.128255 5.075888 5.017737 4.952364 4.877717 4.790724 4.686474 4.556384 4.38327 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.218640000000001e-10 7.66796e-10 7.326671e-10 7.078706e-10 6.883835e-10 6.723284e-10 6.586755000000001e-10 6.467986e-10 6.362885e-10 6.268627000000001e-10 6.183183e-10 6.105045e-10 6.03306e-10 5.966331000000001e-10 5.904142e-10 5.845914e-10 5.791173e-10 5.739524e-10 5.690637e-10 5.644231000000001e-10 5.600067e-10 5.557938000000001e-10 5.517664e-10 5.47909e-10 5.452829000000001e-10 5.425191e-10 5.396023e-10 5.365145e-10 5.332345e-10 5.297367000000001e-10 5.259901e-10 5.219566000000001e-10 5.175886e-10 5.128255000000001e-10 5.075888e-10 5.017737000000001e-10 4.952364e-10 4.877717e-10 4.790724e-10 4.686473999999999e-10 4.5563840000000005e-10 4.3832700000000005e-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" [ 0.195197 0.405043 0.665686 0.928901 1.18146 1.40867 1.60958 1.78762 1.94108 2.06851 2.17205 2.25544 2.32231 2.3758 2.41854 2.45272 2.48047 2.50334 2.52219 2.53717 2.54839 2.55607 2.56048 2.56188 2.56122 2.55906 2.55505 2.5487 2.53933 2.52598 2.50721 2.48102 2.44489 2.39564 2.32932 2.24147 2.12979 1.99171 1.82225 1.61938 1.38137 1.10409 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.12740072426898e-20 6.489504303652619e-20 1.066546554780924e-19 1.4882634774992338e-19 1.8929076060056398e-19 2.25693815901678e-19 2.57883146655372e-19 2.86408299447108e-19 3.1099530207247197e-19 3.3141183891953396e-19 3.4800077578797e-19 3.61361326738896e-19 3.7207508189045394e-19 3.8064512470571997e-19 3.87492827639436e-19 3.9296906737444793e-19 3.97415107533798e-19 4.0107928549575597e-19 4.04099388450846e-19 4.06499449048578e-19 4.0829709123192595e-19 4.09527562886838e-19 4.1023412278243196e-19 4.1045842751119195e-19 4.10352683853348e-19 4.10006613700404e-19 4.0936414087017e-19 4.0834675870758e-19 4.06845519201522e-19 4.04706613395132e-19 4.01699327853114e-19 3.97503227248668e-19 3.91714563070026e-19 3.83823843147576e-19 3.73198207710888e-19 3.5912308598119797e-19 3.4122997733268596e-19 3.19107122370414e-19 2.9195663713065e-19 2.5945327975669197e-19 2.21319873690858e-19 1.76894719983306e-19 ] } }