{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.180035 1.415878 2.755479 ] [ 0.3300308 2.592052 2.653614 ] [ 2.100058 3.620481 1.423788 ] [ 2.171562 4.236408 3.751897 ] [ 3.719666 3.140383 2.648489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.180035e-10 1.415878e-10 2.755479e-10 ] [ 3.300308e-11 2.592052e-10 2.653614e-10 ] [ 2.100058e-10 3.620481e-10 1.423788e-10 ] [ 2.171562e-10 4.236408e-10 3.751897e-10 ] [ 3.719666e-10 3.140383e-10 2.648489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5525087 -1.7920869 -0.4168058 ] [ -0.9202291 1.0147474 0.3060128 ] [ -3.5158045 0.9494943 -2.1124601 ] [ -1.7647503 1.1963507 0.3958687 ] [ 5.6482753 -1.3685056 1.8273842 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.852165219286009e-10 -2.871239733621947e-09 -6.677965081738407e-10 ] [ -1.474369549799825e-09 1.625804560297586e-09 4.902865538255462e-10 ] [ -5.632939773203434e-09 1.521257569042862e-09 -3.38453418459283e-09 ] [ -2.827441672209786e-09 1.916765121817714e-09 6.34251576046489e-10 ] [ 9.049534633502106e-09 -2.192587677753877e-09 2.927792242459312e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.06605739923495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.514542103885089e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.2571726 1.3358362 2.3526747 ] [ 0.4591835 2.7195569 2.9806407 ] [ 2.0374999 3.4877562 1.3944527 ] [ 1.9747534 4.4228867 3.5667324 ] [ 3.7727425 3.039166 2.9387664 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2571726e-10 1.3358362e-10 2.3526747e-10 ] [ 4.591835000000001e-11 2.7195569e-10 2.9806407e-10 ] [ 2.0374999e-10 3.4877562e-10 1.3944527e-10 ] [ 1.9747534e-10 4.422886700000001e-10 3.5667324e-10 ] [ 3.7727425e-10 3.039166e-10 2.9387664e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7e-07 4e-07 -1e-07 ] [ -3e-07 -6e-07 0.0 ] [ 0.0 0.0 2e-07 ] [ 6e-07 -3e-07 -5e-07 ] [ 4e-07 6e-07 4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.12152363456e-15 6.408706483200001e-16 -1.6021766208e-16 ] [ -4.8065298624e-16 -9.6130597248e-16 0.0 ] [ 0.0 0.0 3.2043532416e-16 ] [ 9.6130597248e-16 -4.8065298624e-16 -8.010883104e-16 ] [ 6.408706483200001e-16 9.6130597248e-16 6.408706483200001e-16 ] ] } "relaxed-potential-energy" { "source-value" -5.34072039923495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.55677736188388e-19 } }