{ "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" [ "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" ] } "a" { "source-value" [ 10.6135 9.902357 9.461619 9.141399 8.889745 8.682411 8.506099 8.352722 8.216994 8.095271 7.984929 7.884022 7.791062 7.704889 7.624578 7.549383 7.478691 7.411992 7.34886 7.288932 7.231899 7.177493 7.125485 7.07567 7.025309 6.973413 6.919883 6.864614 6.807489 6.74838 6.687142 6.623618 6.55763 6.488979 6.41744 6.342761 6.264653 6.182786 6.096779 6.006192 5.910509 5.809123 5.701309 5.586199 5.462731 5.329598 5.185155 5.027301 4.85329 4.659432 4.44061 4.189431 3.894636 3.53783 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.06135e-09 9.902357000000002e-10 9.461619000000002e-10 9.141399e-10 8.889745e-10 8.682411e-10 8.506099000000001e-10 8.352722e-10 8.216994e-10 8.095271000000001e-10 7.984929e-10 7.884022e-10 7.791062e-10 7.704889e-10 7.624578e-10 7.549383e-10 7.478691e-10 7.411992e-10 7.34886e-10 7.288932e-10 7.231899e-10 7.177493e-10 7.125485e-10 7.07567e-10 7.025309e-10 6.973413e-10 6.919883e-10 6.864614000000001e-10 6.807489e-10 6.74838e-10 6.687142e-10 6.623618e-10 6.557629999999999e-10 6.488979e-10 6.41744e-10 6.342761e-10 6.264653000000001e-10 6.182786e-10 6.096779e-10 6.006192000000001e-10 5.910509e-10 5.809123e-10 5.701309000000001e-10 5.586198999999999e-10 5.462731e-10 5.329598e-10 5.185155e-10 5.027301e-10 4.85329e-10 4.659432e-10 4.440610000000001e-10 4.189431e-10 3.8946360000000003e-10 3.53783e-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" [ 0.559771 0.734074 0.868522 0.982451 1.08166 1.16909 1.24664 1.31566 1.37721 1.43208 1.48096 1.52437 1.5628 1.59662 1.62619 1.65179 1.67369 1.69212 1.70727 1.71933 1.72848 1.73485 1.73858 1.7398 1.73848 1.73423 1.72649 1.71462 1.69786 1.67528 1.64578 1.608 1.56029 1.50065 1.42657 1.33496 1.22194 1.08259 0.910639 0.698001 0.43412 0.105042 -0.307959 -0.830403 -1.49777 -2.36039 -3.49152 -5.00084 -7.05829 -9.93828 -14.1068 -20.4067 -30.4939 -48.0016 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.96852016590814e-20 1.1761162104269158e-19 1.3915256545149479e-19 1.574060036249934e-19 1.73301037793244e-19 1.87308868104306e-19 1.99733747900976e-19 2.10791971028844e-19 2.20653368211114e-19 2.2944451140187197e-19 2.3727595078886397e-19 2.4423099955705797e-19 2.5038816436151997e-19 2.5580672573770795e-19 2.60544362044446e-19 2.64645934227486e-19 2.6815470105594595e-19 2.71107512592408e-19 2.73534810192918e-19 2.75467035213522e-19 2.76933026833632e-19 2.7795361334949e-19 2.78551225233972e-19 2.7874669078331997e-19 2.7853520346763197e-19 2.77854278398182e-19 2.76614193683466e-19 2.74712410018908e-19 2.7202716198032395e-19 2.68409447140752e-19 2.63683026070452e-19 2.576300027472e-19 2.49986018026386e-19 2.4043063658121e-19 2.2856171207653795e-19 2.1388417193246397e-19 1.9577637161499598e-19 1.7345004022020598e-19 1.4590045278091259e-19 1.118320892708634e-19 6.955369203520799e-20 1.6829583798862798e-20 -4.934047140300059e-20 -1.330452283403502e-19 -2.39969209710618e-19 -3.78176170512726e-19 -5.594031761143679e-19 -8.01222899837256e-19 -1.130862731399586e-18 -1.592287999814952e-18 -2.2601585340511197e-18 -3.26951379170478e-18 -4.88566140595326e-18 -7.69070419146144e-18 ] } }