{ "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" [ "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" [ 6.95048 6.484771 6.196144 5.986441 5.821639 5.685862 5.570399 5.469957 5.381073 5.301359 5.229099 5.163018 5.102141 5.045709 4.993115 4.943872 4.897577 4.853898 4.812555 4.773309 4.73596 4.700331 4.666272 4.63365 4.611442 4.588068 4.563401 4.537287 4.509548 4.479967 4.448283 4.414171 4.377232 4.336951 4.292664 4.243486 4.1882 4.125072 4.051502 3.963338 3.853322 3.70692 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.95048e-10 6.484771e-10 6.196144000000001e-10 5.986441000000001e-10 5.821639000000001e-10 5.685862e-10 5.570399e-10 5.469957e-10 5.381073e-10 5.301359e-10 5.229099e-10 5.163018e-10 5.102141e-10 5.045709e-10 4.993115000000001e-10 4.943872e-10 4.897577000000001e-10 4.853898000000001e-10 4.812555e-10 4.773309e-10 4.735960000000001e-10 4.700331e-10 4.666272e-10 4.6336500000000003e-10 4.611442e-10 4.588068e-10 4.563401e-10 4.5372870000000004e-10 4.509548e-10 4.4799670000000004e-10 4.4482830000000003e-10 4.4141709999999997e-10 4.3772320000000005e-10 4.336951e-10 4.2926640000000005e-10 4.243486e-10 4.1882e-10 4.1250720000000004e-10 4.0515020000000006e-10 3.963338e-10 3.853322e-10 3.7069200000000006e-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 1.15056 1.42175 1.64748 1.84078 2.009 2.15686 2.28762 2.40364 2.50675 2.59835 2.6796 2.75143 2.81461 2.86983 2.91764 2.95855 2.99298 3.02131 3.04388 3.061 3.07293 3.07993 3.08222 3.08111 3.07745 3.07065 3.05996 3.04442 3.02277 2.99334 2.9539 2.90136 2.83142 2.73785 2.61138 2.43764 2.19325 1.83768 1.29451 0.401765 -1.25102 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.84340034801504e-19 2.2778946293894998e-19 2.63955396098232e-19 2.94925470433452e-19 3.218772857706e-19 3.4556706948092396e-19 3.66517131147108e-19 3.85105584454776e-19 4.0162562772794996e-19 4.1630156569538997e-19 4.2931925084664e-19 4.408276856086619e-19 4.50950237582274e-19 4.597974569552219e-19 4.67457463442376e-19 4.7401196805207e-19 4.79528262202932e-19 4.84067228607054e-19 4.87683341269992e-19 4.904262676674e-19 4.92337664391762e-19 4.934591880355619e-19 4.93826086484748e-19 4.93648244878374e-19 4.930618482303299e-19 4.9197236811921e-19 4.902596412974639e-19 4.87769858808228e-19 4.84301146395618e-19 4.79585940561756e-19 4.732669559172599e-19 4.64849119882224e-19 4.53643496504028e-19 4.386519297396899e-19 4.1838920184949196e-19 3.9055298501037597e-19 3.5139739025205e-19 2.94428795676912e-19 2.07403367447934e-19 6.436984953590099e-20 -2.0043550126666798e-19 ] } }