{ "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" [ "Fr" "Fr" "Fr" "Fr" ] } "a" { "source-value" [ 10.727 10.008257 9.562808 9.239166 8.984823 8.775273 8.597076 8.44206 8.304882 8.181857 8.070337 7.968351 7.874398 7.787304 7.706135 7.630136 7.558688 7.491276 7.427469 7.366901 7.309258 7.254272 7.201707 7.15136 7.117085 7.081011 7.042941 7.002639 6.959827 6.914174 6.865273 6.812628 6.755616 6.693449 6.625099 6.5492 6.463875 6.366445 6.252901 6.116834 5.94704 5.72109 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0727e-09 1.0008257e-09 9.562808e-10 9.239166000000001e-10 8.984823000000001e-10 8.775273e-10 8.597076e-10 8.44206e-10 8.304881999999999e-10 8.181857000000001e-10 8.070337000000001e-10 7.968351e-10 7.874398000000001e-10 7.787304e-10 7.706135e-10 7.630136e-10 7.558688e-10 7.491276e-10 7.427469000000001e-10 7.366901000000001e-10 7.309258e-10 7.254272000000001e-10 7.201707e-10 7.15136e-10 7.117085000000001e-10 7.081011e-10 7.042941e-10 7.002639e-10 6.959827e-10 6.914174000000001e-10 6.865273000000001e-10 6.812628e-10 6.755616e-10 6.693449e-10 6.625099e-10 6.5492e-10 6.463875e-10 6.366445e-10 6.252900999999999e-10 6.116834e-10 5.947040000000001e-10 5.72109e-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" [ 0.506897 0.757402 0.979077 1.18194 1.37041 1.54673 1.71293 1.86933 2.01626 2.15435 2.28348 2.40365 2.51495 2.61748 2.71092 2.79517 2.87011 2.93578 2.9918 3.03798 3.07412 3.10019 3.11625 3.12166 3.11894 3.10978 3.09235 3.06422 3.02213 2.96165 2.87664 2.75842 2.59455 2.36672 2.04603 1.58689 0.913182 -0.110854 -1.7448 -4.54436 -9.88274 -22.0392 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.121385225536577e-20 1.2134917769471618e-19 1.5686542793630017e-19 1.8936766351883522e-19 2.195638862910528e-19 2.478134644689984e-19 2.744416399066944e-19 2.994996822560064e-19 3.230404633454208e-19 3.45164920302048e-19 3.658538270064384e-19 3.85107183458592e-19 4.0293940924809597e-19 4.193665261411584e-19 4.3433726448591365e-19 4.478356025161537e-19 4.598423141124288e-19 4.703638079812224e-19 4.79339201410944e-19 4.867380530457984e-19 4.925283193533696e-19 4.967051938037952e-19 4.992782894568e-19 5.001450670086528e-19 4.997092749677952e-19 4.982416811831424e-19 4.95449087333088e-19 4.909421644987777e-19 4.841986031018304e-19 4.745086388992321e-19 4.608885354458113e-19 4.419476034347137e-19 4.15692735149664e-19 3.791903451979776e-19 3.278101431455424e-19 2.542478057781312e-19 1.4630788509353857e-19 -1.776076871221632e-20 -2.79547776797184e-19 -7.280867348498688e-19 -1.5833894977444993e-18 -3.531069098113536e-18 ] } }