{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.08002 7.538629 7.203096 6.959314 6.76773 6.609887 6.475661 6.358896 6.255567 6.162899 6.078896 6.002076 5.931306 5.865703 5.804562 5.747317 5.693499 5.642721 5.594659 5.549036 5.505616 5.464198 5.424604 5.38668 5.348341 5.308832 5.26808 5.226004 5.182515 5.137516 5.090896 5.042535 4.992299 4.940035 4.885573 4.82872 4.769257 4.706932 4.641455 4.572492 4.499649 4.422464 4.340386 4.252753 4.158758 4.057404 3.94744 3.827267 3.694793 3.54721 3.380622 3.1894 2.964975 2.69334 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.080019999999999e-10 7.538629e-10 7.203096e-10 6.959314e-10 6.767730000000001e-10 6.609887e-10 6.475661e-10 6.358895999999999e-10 6.255567e-10 6.162899e-10 6.078896e-10 6.002076e-10 5.931306000000001e-10 5.865703e-10 5.804562e-10 5.747317e-10 5.693499000000001e-10 5.642721e-10 5.594659000000001e-10 5.549036e-10 5.505616e-10 5.464198e-10 5.424604e-10 5.38668e-10 5.348341e-10 5.308832e-10 5.26808e-10 5.226004e-10 5.182515000000001e-10 5.137516e-10 5.090896e-10 5.042535e-10 4.992299e-10 4.940035e-10 4.885573e-10 4.82872e-10 4.769257e-10 4.706932e-10 4.641455e-10 4.5724919999999995e-10 4.499649e-10 4.422464e-10 4.340386e-10 4.2527530000000006e-10 4.1587579999999997e-10 4.057404e-10 3.94744e-10 3.827267e-10 3.6947930000000004e-10 3.5472100000000005e-10 3.380622e-10 3.1894000000000004e-10 2.964975e-10 2.69334e-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" [ 0.00360095 0.241873 0.65636 1.04546 1.37499 1.649 1.87703 2.06779 2.22823 2.3638 2.47868 2.57618 2.6589 2.72894 2.78798 2.83742 2.8784 2.91188 2.93867 2.95946 2.97484 2.98531 2.99131 2.99324 2.99122 2.98478 2.97332 2.9561 2.93229 2.9009 2.86078 2.81079 2.75021 2.67831 2.59159 2.47962 2.32121 2.08182 1.71205 1.14603 0.299283 -0.934494 -2.68788 -5.12492 -8.47374 -13.2075 -20.2986 -31.3384 -48.5866 -75.0743 -115.188 -178.59 -291.549 -534.777 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.769357950202299e-22 3.87523268995482e-20 1.05160465549224e-19 1.67501158378164e-19 2.20297684998366e-19 2.641989269466e-19 3.0073336073170197e-19 3.31296482201886e-19 3.57001804117782e-19 3.7872251274491994e-19 3.9712831791631203e-19 4.12749540097812e-19 4.2600274521426e-19 4.37224390358796e-19 4.46683641205932e-19 4.546048024844279e-19 4.6117052233055995e-19 4.66534609701192e-19 4.70826840903678e-19 4.741577661257639e-19 4.766219137888559e-19 4.7829939272465395e-19 4.792606987050539e-19 4.79569918795416e-19 4.79246279115348e-19 4.78214477363052e-19 4.76378382940488e-19 4.7361943477674e-19 4.698046522111859e-19 4.6477541975706e-19 4.58347487101452e-19 4.50338206108086e-19 4.40632220059314e-19 4.29112570060854e-19 4.15218494290806e-19 3.97278922519908e-19 3.71898842460714e-19 3.33544336019388e-19 2.7430065062397e-19 1.83614248786302e-19 4.79504229553422e-20 -1.497224451413196e-19 -4.306458530995919e-19 -8.21102707511928e-19 -1.3576428230591158e-18 -2.1160747893554997e-18 -3.25219426229124e-18 -5.02096522269456e-18 -7.784431524550438e-18 -1.2028228927390619e-17 -1.84551522117192e-17 -2.8613272506605996e-17 -4.6711299546606594e-17 -8.56807213800618e-17 ] } }