{ "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" [ 8.1015 7.55867 7.222245 6.977815 6.785722 6.627459 6.492876 6.3758 6.272197 6.179283 6.095057 6.018032 5.947074 5.881296 5.819993 5.762595 5.708634 5.657722 5.609531 5.563787 5.520253 5.478724 5.439025 5.401 5.375114 5.34787 5.319117 5.288679 5.256347 5.221867 5.184935 5.145175 5.102118 5.055166 5.003546 4.946223 4.881782 4.8082 4.722446 4.619682 4.491447 4.3208 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.1015e-10 7.558670000000001e-10 7.222245e-10 6.977815e-10 6.785722e-10 6.627459e-10 6.492876e-10 6.3758e-10 6.272197e-10 6.179283e-10 6.095057e-10 6.018032e-10 5.947074e-10 5.881296e-10 5.819993e-10 5.762595000000001e-10 5.708634e-10 5.657722e-10 5.609531e-10 5.563787e-10 5.520253000000001e-10 5.478724e-10 5.439025e-10 5.401e-10 5.375114e-10 5.34787e-10 5.319117e-10 5.288679e-10 5.256347e-10 5.221867e-10 5.184935e-10 5.145175e-10 5.102118e-10 5.055166e-10 5.003546000000001e-10 4.946223e-10 4.881782e-10 4.8082e-10 4.722446e-10 4.619682e-10 4.491447e-10 4.3208e-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" [ 0.580909 0.78963 0.946841 1.0739 1.18001 1.27053 1.34985 1.41906 1.47971 1.53353 1.581 1.62275 1.65937 1.69133 1.71904 1.74283 1.76321 1.78028 1.7942 1.80517 1.81335 1.81911 1.82261 1.82376 1.8232 1.82138 1.818 1.81269 1.80497 1.79423 1.77966 1.76014 1.73467 1.70076 1.65536 1.59406 1.51012 1.39195 1.21982 0.956721 0.523885 -0.280461 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.307188186123073e-20 1.2651267250823042e-19 1.5170065138148929e-19 1.7205774730771203e-19 1.890584434310208e-19 2.035613462025024e-19 2.16269811158688e-19 2.273584755512448e-19 2.3707567675639683e-19 2.456985913295424e-19 2.5330412374848e-19 2.5999321114032e-19 2.6586038192568963e-19 2.709809384057664e-19 2.754205698220032e-19 2.7923214800288643e-19 2.824973839560768e-19 2.8523229944778244e-19 2.87462529303936e-19 2.892201170569536e-19 2.90530697532768e-19 2.914535512663488e-19 2.920143130836288e-19 2.921985633950208e-19 2.92108841504256e-19 2.918172453592704e-19 2.9127570966144e-19 2.904249538757952e-19 2.8918807352453763e-19 2.874673358337984e-19 2.851329644972928e-19 2.8200551573349125e-19 2.779247718803136e-19 2.724917909591808e-19 2.652179091007488e-19 2.5539656641524484e-19 2.419478958602496e-19 2.23014974732256e-19 1.954367085584256e-19 1.532836018828397e-19 8.393562989878081e-20 -4.493480572461889e-20 ] } }