{ "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" [ "Pm" "Pm" "Pm" "Pm" "Pm" "Pm" "Pm" "Pm" ] } "a" { "source-value" [ 13.2758 12.386268 11.834971 11.434425 11.119644 10.8603 10.63976 10.447908 10.278134 10.125876 9.987856 9.861636 9.745358 9.637568 9.537111 9.443054 9.354628 9.271198 9.192229 9.117268 9.045928 8.977876 8.912821 8.85051 8.787517 8.722603 8.655646 8.586514 8.51506 8.441123 8.364525 8.285067 8.202526 8.116655 8.027172 7.933761 7.83606 7.733658 7.626077 7.512768 7.393084 7.266266 7.131409 6.987425 6.832987 6.666459 6.485784 6.288335 6.070676 5.828191 5.55448 5.240296 4.871556 4.42525 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.32758e-09 1.2386268e-09 1.1834971e-09 1.1434425e-09 1.1119644e-09 1.08603e-09 1.063976e-09 1.0447908000000001e-09 1.0278134e-09 1.0125876e-09 9.987856e-10 9.861636000000001e-10 9.745358e-10 9.637568e-10 9.537111e-10 9.443054e-10 9.354628e-10 9.271198e-10 9.192229e-10 9.117267999999999e-10 9.045928e-10 8.977876e-10 8.912821e-10 8.850510000000001e-10 8.787517e-10 8.722602999999999e-10 8.655646000000001e-10 8.586514e-10 8.515060000000001e-10 8.441123e-10 8.364525000000001e-10 8.285067e-10 8.202526000000001e-10 8.116655e-10 8.027172e-10 7.933761e-10 7.83606e-10 7.733658e-10 7.626077000000001e-10 7.512768e-10 7.393084e-10 7.266266000000001e-10 7.131409e-10 6.987425e-10 6.832987e-10 6.666459e-10 6.485784e-10 6.288335000000001e-10 6.070676e-10 5.828191000000001e-10 5.55448e-10 5.240296e-10 4.871556e-10 4.4252500000000003e-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" [ 1.6217 2.43084 3.14197 3.79375 4.40298 4.97368 5.51205 6.01813 6.4935 6.93912 7.35598 7.7449 8.10481 8.43557 8.73817 9.0121 9.2558 9.46878 9.65048 9.80031 9.91765 10.0018 10.0537 10.0712 10.0514 9.98533 9.86074 9.66304 9.37174 8.96146 8.39942 7.64291 6.63573 5.304 3.54714 1.22944 -1.83369 -5.90526 -11.3552 -18.7133 -28.767 -42.6994 -62.3507 -90.6478 -132.422 -195.981 -296.293 -461.958 -751.514 -1295.71 -2420.74 -5069.03 -12575.5 -40870.5 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.5982498473578e-19 3.8946350489925598e-19 5.03399091872898e-19 6.0782576052375e-19 7.05435167596932e-19 7.968713880993119e-19 8.8312777154397e-19 9.642107266374419e-19 1.0403733972879e-18 1.111769592452208e-18 1.178557927617132e-18 1.24086978126666e-18 1.298533720500954e-18 1.3515273148471379e-18 1.400009179791978e-18 1.4438976043271399e-18 1.48294264889772e-18 1.517065806848652e-18 1.546177356288432e-18 1.5701827687956538e-18 1.58898270941901e-18 1.6024650257941198e-18 1.6107803225245798e-18 1.6135841316340797e-18 1.6104118218987598e-18 1.5998262408779218e-18 1.5798647221949159e-18 1.548189690140736e-18 1.501518284792316e-18 1.435784181852564e-18 1.3457354463152277e-18 1.2245291817764939e-18 1.063161155553282e-18 8.497944866736e-19 5.68314482552676e-19 1.9697800409049601e-19 -2.9378952719994597e-19 -9.461269589694839e-19 -1.8193036114396798e-18 -2.99820120050322e-18 -4.608981523027799e-18 -6.841198096581959e-18 -9.98968346535438e-18 -1.452337870835052e-17 -2.1216343422754798e-17 -3.13996178907954e-17 -4.7471372141776196e-17 -7.40138313489372e-17 -1.204058170923876e-16 -2.0759562864401398e-16 -3.8784530649891593e-16 -8.121481423045019e-16 -2.0148172260867e-15 -6.5481760119896995e-15 ] } }