{ "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" [ "N" "N" "N" "N" "N" "N" "N" "N" ] } "a" { "source-value" [ 6.25112 5.832271 5.572685 5.384083 5.235864 5.113748 5.009903 4.919567 4.839627 4.767934 4.702945 4.643513 4.588762 4.538007 4.490706 4.446417 4.404781 4.365497 4.328313 4.293017 4.259426 4.227382 4.19675 4.16741 4.147436 4.126415 4.104229 4.080744 4.055796 4.029191 4.000695 3.970016 3.936793 3.900565 3.860735 3.816505 3.766783 3.710006 3.643839 3.564547 3.465601 3.33393 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.25112e-10 5.832271000000001e-10 5.572685e-10 5.384083000000001e-10 5.235864e-10 5.113748e-10 5.009903e-10 4.919567e-10 4.839627e-10 4.767934e-10 4.702945e-10 4.6435129999999995e-10 4.588762e-10 4.5380070000000004e-10 4.4907060000000007e-10 4.4464170000000005e-10 4.404781e-10 4.3654970000000007e-10 4.328313e-10 4.293017e-10 4.2594260000000003e-10 4.227382000000001e-10 4.19675e-10 4.1674100000000006e-10 4.147436e-10 4.126415e-10 4.104229e-10 4.080744e-10 4.055796e-10 4.029191e-10 4.0006950000000004e-10 3.970016e-10 3.936793e-10 3.900565e-10 3.860735e-10 3.8165049999999997e-10 3.766783e-10 3.710006e-10 3.643839e-10 3.5645470000000005e-10 3.465601e-10 3.33393e-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" [ 0.150586 0.461305 0.725706 0.988391 1.23103 1.45667 1.66714 1.86363 2.04705 2.21827 2.37908 2.53044 2.67289 2.80729 2.93446 3.05509 3.15241 3.23098 3.29819 3.35455 3.40053 3.38433 3.39813 3.40253 3.40049 3.39394 3.38226 3.36488 3.34135 3.31186 3.27695 3.23811 3.20056 3.17339 2.83875 2.40702 1.82886 0.987536 -0.373775 -2.25769 -4.25318 -5.81754 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.412653686197888e-20 7.39092086058144e-20 1.162709186774285e-19 1.583576952409133e-19 1.9723274855034242e-19 2.333842618220736e-19 2.6710527316005123e-19 2.985864415821504e-19 3.27973565160864e-19 3.5540603326220163e-19 3.8117063550128645e-19 4.054211808337152e-19 4.2824418679701127e-19 4.497774405805632e-19 4.7015232066727685e-19 4.894793772439872e-19 5.050717601176129e-19 5.176600618272385e-19 5.284282908956353e-19 5.374581583304641e-19 5.448249664329024e-19 5.422294403072064e-19 5.444404440439105e-19 5.451454017570625e-19 5.448185577264192e-19 5.437691320397953e-19 5.418977897467009e-19 5.391132067797504e-19 5.35343285191008e-19 5.306184663362688e-19 5.25025267753056e-19 5.188024137578688e-19 5.127862405467648e-19 5.084331266680512e-19 4.548178882296e-19 3.8564711697980164e-19 2.930156734716288e-19 1.5822070913983489e-19 -5.9885356643952e-20 -3.6172181350139523e-19 -6.814345560054145e-19 -9.320726578568832e-19 ] } }