{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.12059 7.576481 7.239264 6.994258 6.801713 6.643078 6.508178 6.390826 6.286979 6.193846 6.109421 6.032215 5.96109 5.895157 5.83371 5.776177 5.722089 5.671056 5.622753 5.576901 5.533263 5.491637 5.451844 5.41373 5.387783 5.360474 5.331654 5.301144 5.268735 5.234174 5.197155 5.157301 5.114142 5.06708 5.015337 4.95788 4.893287 4.81953 4.733574 4.630568 4.50203 4.33098 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.12059e-10 7.576481000000001e-10 7.239264000000001e-10 6.994258e-10 6.801713e-10 6.643078000000001e-10 6.508178000000001e-10 6.390826e-10 6.286979e-10 6.193846e-10 6.109421e-10 6.032215e-10 5.961090000000001e-10 5.895157e-10 5.83371e-10 5.776177e-10 5.722089000000001e-10 5.671056000000001e-10 5.622753000000001e-10 5.576901000000001e-10 5.533263000000001e-10 5.491637e-10 5.451844e-10 5.41373e-10 5.387783e-10 5.360474e-10 5.331654e-10 5.301144e-10 5.268735e-10 5.234174e-10 5.197155000000001e-10 5.157301000000001e-10 5.114142e-10 5.06708e-10 5.015337e-10 4.957880000000001e-10 4.893287e-10 4.81953e-10 4.733574e-10 4.630568e-10 4.502030000000001e-10 4.33098e-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" [ 0.809095 1.22453 1.55102 1.78833 1.95629 2.07908 2.17382 2.25067 2.31508 2.37024 2.41885 2.46318 2.50466 2.54325 2.57803 2.60828 2.63368 2.65456 2.67133 2.68442 2.69422 2.70102 2.70499 2.70628 2.70566 2.7036 2.69978 2.69379 2.68497 2.67221 2.6541 2.6292 2.59574 2.55131 2.49352 2.42092 2.33233 2.2273 2.10771 1.98155 1.79666 1.27014 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.296313093006176e-19 1.961913337468224e-19 2.4850079823932163e-19 2.865220516275264e-19 3.1343221015048323e-19 3.3310533687728637e-19 3.482843581827456e-19 3.605970855135936e-19 3.709167051281664e-19 3.797543113684992e-19 3.87542491922208e-19 3.9464494088221443e-19 4.012907695052928e-19 4.0747356908496003e-19 4.130459393721024e-19 4.1789252365002245e-19 4.2196205226685443e-19 4.253073970510848e-19 4.2799424724416645e-19 4.300914964407936e-19 4.316616295291776e-19 4.3275110963132166e-19 4.3338717374977924e-19 4.3359385453386244e-19 4.334945195833728e-19 4.33164471199488e-19 4.3255243973034246e-19 4.315927359344832e-19 4.301796161549376e-19 4.2813523878679684e-19 4.2523369692652803e-19 4.2124427714073603e-19 4.1588339416753925e-19 4.0876492344132483e-19 3.9950594474972167e-19 3.8787414248271366e-19 3.736804597990464e-19 3.5685279875078403e-19 3.3769236854263684e-19 3.17479308294624e-19 2.878566647526528e-19 2.0349886131429122e-19 ] } }