{ "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" [ 5.83042 5.439761 5.197646 5.021737 4.883493 4.769596 4.672741 4.588485 4.513925 4.447057 4.386442 4.33101 4.279943 4.232605 4.188487 4.147179 4.108345 4.071705 4.037024 4.004103 3.972773 3.942886 3.914315 3.88695 3.86832 3.848714 3.828021 3.806116 3.782847 3.758033 3.731454 3.70284 3.671853 3.638063 3.600913 3.55966 3.513283 3.460328 3.398614 3.324657 3.23237 3.10956 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.83042e-10 5.439761e-10 5.197646e-10 5.021737e-10 4.883493e-10 4.769596000000001e-10 4.672741e-10 4.5884850000000006e-10 4.5139250000000005e-10 4.4470570000000003e-10 4.386442e-10 4.3310100000000004e-10 4.2799430000000007e-10 4.2326050000000005e-10 4.1884870000000006e-10 4.1471790000000004e-10 4.108345e-10 4.071705e-10 4.037024e-10 4.004103e-10 3.972773e-10 3.942886e-10 3.914315e-10 3.88695e-10 3.86832e-10 3.848714e-10 3.828021e-10 3.806116e-10 3.782847e-10 3.7580330000000005e-10 3.731454e-10 3.70284e-10 3.671853e-10 3.638063e-10 3.600913e-10 3.5596600000000003e-10 3.513283e-10 3.460328e-10 3.398614e-10 3.324657e-10 3.23237e-10 3.10956e-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 0 0 1.85534e-189 2.27783e-07 0.00125751 0.0247077 0.112862 0.284167 0.527977 0.821402 1.14071 1.46596 1.78207 2.07841 2.34798 2.58651 2.79177 2.96297 3.10027 3.20453 3.27702 3.31928 3.33298 3.3264 3.30491 3.26539 3.20403 3.11606 2.9955 2.83477 2.62405 2.3505 1.99696 1.53997 0.946639 0.169175 -0.864648 -2.2701 -4.24435 -7.20311 -12.4079 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 2.972582371635072e-208 3.649485972156864e-26 2.0147531224222083e-22 3.958609929374016e-21 1.808248577767296e-20 4.552857238028736e-20 8.459124057201217e-20 1.3160310806783616e-19 1.827618893112768e-19 2.348726839027968e-19 2.855190890629056e-19 3.329979910436928e-19 3.7618786621059843e-19 4.1440458514654084e-19 4.472908624650816e-19 4.747201262131776e-19 4.967180112167616e-19 5.134223046652224e-19 5.250364829894016e-19 5.318072813889024e-19 5.340022633593984e-19 5.32948031142912e-19 5.295049535848129e-19 5.231731515794112e-19 5.133421958341824e-19 4.992478481010048e-19 4.7993200676064e-19 4.541802219345216e-19 4.20419156181024e-19 3.7659161471904e-19 3.1994826246727683e-19 2.4673039307333765e-19 1.5166828741374914e-19 2.7104822982384e-20 -1.3853188108214786e-19 -3.63710114687808e-19 -6.800198340492481e-19 -1.1540654439050688e-18 -1.987964729322432e-18 ] } }