{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1411895 -0.8220487 0.9037137 ] [ -1.3135975 0.0119064 0.4005717 ] [ -1.3090172 -1.8018005 -1.1262495 ] [ 0.5081888 0.6662485 0.6054707 ] [ 0.767437 -0.7106046 -0.3548894 ] [ 2.757143 0.4073068 0.5047561 ] [ 0.7310354 2.2489922 -0.9333734 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.430563785866142e-09 -1.317067219150076e-09 1.447908973965686e-09 ] [ -2.104615220980814e-09 1.90761558750576e-11 6.417866179816577e-10 ] [ -2.097276771344104e-09 -2.886802660229516e-09 -1.804450632954183e-09 ] [ 8.142082210204991e-10 1.067447779137549e-09 9.700710081116237e-10 ] [ 1.229569629467058e-09 -1.138514086132916e-09 -5.685955043342795e-10 ] [ 4.417430091196661e-09 6.525774378293112e-10 8.087084292889674e-10 ] [ 1.171247836506844e-09 3.603282752888255e-09 -1.495429052277135e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.149409005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.907855902994672e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2532637 2.6329963 0.8451823 ] [ 2.1018081 4.9221302 0.7637358 ] [ 2.2305408 2.8245068 3.1326514 ] [ 4.5389381 2.7347582 0.811117 ] [ 4.6126847 2.9305795 3.0971447 ] [ 4.4839532 5.0281868 0.7282139 ] [ 3.3254064 4.9434663 2.8327936 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2532637e-10 2.6329963e-10 8.451823000000001e-11 ] [ 2.1018081e-10 4.9221302e-10 7.637358e-11 ] [ 2.2305408e-10 2.8245068e-10 3.1326514e-10 ] [ 4.5389381e-10 2.7347582e-10 8.11117e-11 ] [ 4.6126847e-10 2.9305795e-10 3.0971447e-10 ] [ 4.4839532e-10 5.0281868e-10 7.282139e-11 ] [ 3.3254064e-10 4.9434663e-10 2.8327936e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.14e-05 -7.9e-06 9.4e-06 ] [ 2.99e-05 1.22e-05 6.1e-06 ] [ 1.24e-05 5.2e-06 1.6e-05 ] [ 1.31e-05 1.01e-05 -1.41e-05 ] [ -4.21e-05 6.5e-06 -6.5e-06 ] [ -2.86e-05 -7.3e-06 2.1e-06 ] [ 3.9e-06 -1.88e-05 -1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.82648136276e-14 -1.26571954086e-14 1.50604603596e-14 ] [ 4.790508135659999e-14 1.95465549348e-14 9.773277467399999e-15 ] [ 1.98669902616e-14 8.331318496799998e-15 2.5634826144e-14 ] [ 2.09885139054e-14 1.61819840034e-14 -2.25906905394e-14 ] [ -6.745163629139998e-14 1.0414148121e-14 -1.0414148121e-14 ] [ -4.58222517324e-14 -1.16958894282e-14 3.364570931399999e-15 ] [ 6.248488872599999e-15 -3.012092071919999e-14 -2.082829624199999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }