{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.81823 8.227376 7.861188 7.595133 7.386047 7.213783 7.067293 6.93986 6.827091 6.725956 6.634279 6.55044 6.473205 6.401607 6.334881 6.272405 6.21367 6.158253 6.1058 6.056009 6.008623 5.96342 5.920209 5.87882 5.836978 5.79386 5.749385 5.703464 5.656002 5.606891 5.556012 5.503233 5.448407 5.391368 5.331931 5.269884 5.204988 5.136968 5.06551 4.990246 4.910748 4.826511 4.736934 4.641295 4.538712 4.428098 4.308088 4.176935 4.032358 3.871292 3.689483 3.480792 3.235862 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.81823e-10 8.227376e-10 7.861188000000001e-10 7.595133e-10 7.386047e-10 7.213783e-10 7.067293000000001e-10 6.939860000000001e-10 6.827091e-10 6.725956000000001e-10 6.634279e-10 6.55044e-10 6.473205e-10 6.401607e-10 6.334881000000001e-10 6.272405000000001e-10 6.21367e-10 6.158253000000001e-10 6.105800000000001e-10 6.056009e-10 6.008623e-10 5.96342e-10 5.920209e-10 5.878820000000001e-10 5.836978000000001e-10 5.79386e-10 5.749385e-10 5.703464000000001e-10 5.656002000000001e-10 5.606891e-10 5.556012e-10 5.503233e-10 5.448407e-10 5.391368e-10 5.331931000000001e-10 5.269884000000001e-10 5.204988e-10 5.136968000000001e-10 5.06551e-10 4.990246e-10 4.910748e-10 4.826511e-10 4.736934e-10 4.641295000000001e-10 4.5387120000000003e-10 4.4280980000000003e-10 4.3080879999999996e-10 4.1769350000000006e-10 4.0323580000000005e-10 3.871292e-10 3.6894830000000003e-10 3.480792e-10 3.235862e-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" [ 0.791496 1.09036 1.31266 1.4918 1.64089 1.76722 1.87553 1.96915 2.05054 2.12158 2.18369 2.23796 2.28528 2.32635 2.36179 2.39209 2.41774 2.4391 2.4565 2.47023 2.48053 2.48765 2.49178 2.49312 2.49169 2.4871 2.47884 2.46629 2.44877 2.42542 2.39529 2.35723 2.30981 2.25137 2.17983 2.09269 1.98684 1.85839 1.70246 1.51276 1.28123 0.997295 0.646903 0.210977 -0.337099 -1.0356 -1.94154 -3.14381 -4.78677 -7.11635 -10.5779 -16.0471 -25.4506 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2681163971044638e-19 1.74694931464824e-19 2.1031131803864397e-19 2.3901271026012e-19 2.62899561696426e-19 2.8313985911374797e-19 3.0049303423660196e-19 3.1549261188410996e-19 3.2853272750823594e-19 3.3991459031617194e-19 3.4986570938994594e-19 3.58560721982664e-19 3.6614222181475203e-19 3.7272236125059e-19 3.78400475241486e-19 3.83255070442506e-19 3.8736465350871594e-19 3.9078690279893996e-19 3.935746901421e-19 3.95774478660582e-19 3.9742472059360195e-19 3.9856547035700995e-19 3.9922716930685197e-19 3.9944186097580795e-19 3.99212749717146e-19 3.9847735064213995e-19 3.9715395274245597e-19 3.9514322106678593e-19 3.92336207604018e-19 3.8859512516362794e-19 3.83767766965386e-19 3.77669882696382e-19 3.70072361097954e-19 3.6070924084885797e-19 3.49247269209222e-19 3.35285902020546e-19 3.18326862349656e-19 2.97746903485926e-19 2.72764163231964e-19 2.42370872484984e-19 2.05275676877982e-19 1.59784274620503e-19 1.036452871064502e-19 3.38022419711418e-20 -5.4009214114476593e-20 -1.6592141221704e-19 -3.11069002197636e-19 -5.03693892373554e-19 -7.669251046332179e-19 -1.1401649689365899e-18 -1.6947664216788599e-18 -2.57102886634614e-18 -4.07763566412804e-18 ] } }