{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.74372 5.35887 5.120356 4.947062 4.810874 4.698671 4.603256 4.520253 4.446801 4.380928 4.321214 4.266606 4.216299 4.169665 4.126203 4.08551 4.047253 4.011158 3.976992 3.944561 3.913696 3.884254 3.856108 3.82915 3.810797 3.791482 3.771097 3.749518 3.726595 3.70215 3.675966 3.647778 3.617251 3.583964 3.547366 3.506727 3.46104 3.408872 3.348075 3.275219 3.184304 3.06332 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.74372e-10 5.35887e-10 5.120356000000001e-10 4.947062e-10 4.810874e-10 4.698671000000001e-10 4.603256e-10 4.5202530000000004e-10 4.446801e-10 4.380928e-10 4.3212140000000004e-10 4.2666060000000004e-10 4.2162990000000004e-10 4.1696650000000003e-10 4.1262030000000006e-10 4.08551e-10 4.0472530000000006e-10 4.011158e-10 3.9769920000000004e-10 3.9445610000000005e-10 3.913696e-10 3.884254e-10 3.856108e-10 3.82915e-10 3.810797e-10 3.7914819999999997e-10 3.771097e-10 3.7495180000000004e-10 3.7265950000000003e-10 3.70215e-10 3.675966e-10 3.6477780000000003e-10 3.617251e-10 3.583964e-10 3.547366e-10 3.506727e-10 3.46104e-10 3.4088720000000004e-10 3.3480750000000004e-10 3.275219e-10 3.1843040000000003e-10 3.0633200000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0917508 0.0308935 -0.0375385 0.00750475 0.228964 0.621512 1.10769 1.62967 2.14154 2.6062 2.99568 3.2917 3.49039 3.6122 3.6794 3.7151 3.74083 3.77294 3.82076 3.88594 3.96287 4.03992 4.1007 4.12565 4.11015 4.05234 3.92999 3.71182 3.35404 2.79575 2.01022 1.12731 0.151289 -0.926375 -2.11888 -3.44812 -4.98446 -6.88579 -9.3486 -12.7489 -17.8774 -26.716 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4700098791080718e-20 4.9496843842478996e-21 -6.0143307575409e-21 1.20239350940115e-21 3.6684077082717595e-20 9.957720041506079e-20 1.77471503571546e-19 2.61101919513078e-19 3.4311253487763597e-19 4.1755927435307995e-19 4.79960849894112e-19 5.2738848261378e-19 5.592221301547259e-19 5.7873824373348e-19 5.8950487071396e-19 5.9522464129734e-19 5.993470417766219e-19 6.04491630948396e-19 6.12153239612184e-19 6.22596226912596e-19 6.34921771757958e-19 6.47266542722928e-19 6.570045723043799e-19 6.6100200300621e-19 6.585186292235099e-19 6.49256446102356e-19 6.29653814985366e-19 5.9469912736138795e-19 5.37376451750136e-19 4.479285324505499e-19 3.2207275131994795e-19 1.8061497412745399e-19 2.4239170078122598e-20 -1.4842163793217498e-19 -3.3948200262499194e-19 -5.52449729522808e-19 -7.98598534510764e-19 -1.103225184463086e-18 -1.4978108480612397e-18 -2.04259896892026e-18 -2.86427525566716e-18 -4.2803750953944e-18 ] } }