{ "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" [ 4.81365 4.491118 4.291225 4.145992 4.031857 3.937822 3.857858 3.788295 3.726737 3.67153 3.621486 3.575721 3.53356 3.494476 3.458052 3.423948 3.391886 3.361636 3.333003 3.305823 3.279956 3.255281 3.231693 3.2091 3.193719 3.177532 3.160448 3.142363 3.123152 3.102665 3.080721 3.057097 3.031514 3.003617 2.972945 2.938886 2.900598 2.856877 2.805925 2.744866 2.668673 2.56728 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.81365e-10 4.491118e-10 4.291225e-10 4.145992e-10 4.0318569999999995e-10 3.9378220000000004e-10 3.8578579999999997e-10 3.788295e-10 3.726737e-10 3.6715300000000005e-10 3.621486e-10 3.5757210000000004e-10 3.53356e-10 3.4944760000000003e-10 3.458052e-10 3.423948e-10 3.391886e-10 3.361636e-10 3.333003e-10 3.305823e-10 3.279956e-10 3.2552810000000003e-10 3.231693e-10 3.2091e-10 3.1937190000000004e-10 3.177532e-10 3.160448e-10 3.142363e-10 3.1231520000000003e-10 3.1026650000000003e-10 3.080721e-10 3.0570970000000003e-10 3.031514e-10 3.003617e-10 2.9729450000000005e-10 2.938886e-10 2.900598e-10 2.856877e-10 2.805925e-10 2.744866e-10 2.668673e-10 2.56728e-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" [ 2.97352 3.33096 3.61043 3.75398 3.75962 3.71371 3.72017 3.71372 3.9683 4.19548 4.39923 4.58331 4.75324 4.91014 5.05 5.17031 5.26985 5.3488 5.40833 5.45059 5.48523 5.51307 5.53126 5.53772 5.53431 5.52261 5.49996 5.4627 5.407 5.32892 5.22412 5.08739 4.91088 4.68433 4.39343 4.01513 3.51855 2.87066 1.99503 0.78312 -0.853266 -3.06267 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.764104225481217e-19 5.336786236819968e-19 5.784546537034945e-19 6.014538990950784e-19 6.023575267092096e-19 5.950019338431168e-19 5.960369399401536e-19 5.950035360197377e-19 6.35791748432064e-19 6.721899969033984e-19 7.048343455521985e-19 7.343272127878849e-19 7.615530001051392e-19 7.866911512854912e-19 8.09099193504e-19 8.283749804288448e-19 8.443230465122881e-19 8.56972230933504e-19 8.665099883571265e-19 8.732807867566272e-19 8.788307265710783e-19 8.832911862833855e-19 8.862055455566208e-19 8.872405516536576e-19 8.866942094259649e-19 8.84819662779629e-19 8.811907327335168e-19 8.752210226444161e-19 8.6629689886656e-19 8.537871038113537e-19 8.369962928253696e-19 8.150897318891713e-19 7.868097123554304e-19 7.505124010112064e-19 7.039050831121345e-19 6.432947415472704e-19 5.63733854911584e-19 4.599304338265728e-19 3.1963904237946245e-19 1.254696555280896e-19 -1.367082836523533e-19 -4.906938271225536e-19 ] } }