{ "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" [ [ 1.232696 1.429874 2.018017 ] [ 2.664166 0.3933008 4.008788 ] [ 2.480457 2.487888 4.841749 ] [ 1.659099 3.474448 2.765735 ] [ 4.127261 1.03872 2.31822 ] [ 4.538799 1.714568 4.545045 ] [ 3.952007 3.51716 3.378238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.232696e-10 1.429874e-10 2.018017e-10 ] [ 2.664166e-10 3.933008e-11 4.008788e-10 ] [ 2.480457e-10 2.487888e-10 4.841749e-10 ] [ 1.659099e-10 3.474448e-10 2.765735e-10 ] [ 4.127261e-10 1.03872e-10 2.31822e-10 ] [ 4.538799e-10 1.714568e-10 4.545045e-10 ] [ 3.952007e-10 3.51716e-10 3.378238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3772895 -1.3874051 -0.9619024 ] [ -5.034199 -6.0991608 -0.1777989 ] [ -6.9686569 2.4060404 7.4897058 ] [ -2.1763793 1.8803159 -1.3769088 ] [ 2.0480167 -2.4270648 -6.1550005 ] [ 8.9861354 -1.4403124 4.9177875 ] [ 3.5223726 7.0675869 -3.7358828 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.044844161733217e-10 -2.222868014798686e-09 -1.54113753677141e-09 ] [ -8.06567594225474e-09 -9.771932840259825e-09 -2.848652407839572e-10 ] [ -1.11650191635566e-08 3.854901677580281e-09 1.199983152943016e-08 ] [ -3.486944032453069e-09 3.012598174698511e-09 -2.206051088333783e-09 ] [ 3.281284475747967e-09 -3.888586479726628e-09 -9.86139790211231e-09 ] [ 1.439737604922326e-08 -2.307634853928338e-09 7.87916415856248e-09 ] [ 5.64346302946651e-09 1.132352249665235e-08 -5.985544080208843e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.3079104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.902033327381176e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7665411 1.2161928 2.0269758 ] [ 1.717952 0.1356569 4.1479866 ] [ 2.2437982 2.1745762 5.2592653 ] [ 1.929982 3.3626208 3.159881 ] [ 4.061925 1.3965552 1.4209255 ] [ 4.5960391 2.4690983 5.0382674 ] [ 4.3382476 3.3012586 2.8224903 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7665411e-10 1.2161928e-10 2.0269758e-10 ] [ 1.717952e-10 1.356569e-11 4.1479866e-10 ] [ 2.2437982e-10 2.1745762e-10 5.2592653e-10 ] [ 1.929982e-10 3.3626208e-10 3.159881e-10 ] [ 4.061925e-10 1.3965552e-10 1.4209255e-10 ] [ 4.5960391e-10 2.4690983e-10 5.0382674e-10 ] [ 4.3382476e-10 3.3012586e-10 2.8224903e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.12e-05 1.97e-05 -2.04e-05 ] [ 2.72e-05 2.63e-05 2.6e-05 ] [ -9.2e-06 -2.06e-05 -1.8e-05 ] [ -9.6e-06 4.3e-06 7.9e-06 ] [ 1.7e-05 2.7e-06 7.2e-06 ] [ 3.6e-06 -2.7e-06 8.3e-06 ] [ -1.77e-05 -2.98e-05 -1.09e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.794437815296e-14 3.156287942976e-14 -3.268440306432e-14 ] [ 4.357920408576e-14 4.213724512704e-14 4.16565921408e-14 ] [ -1.474002491136e-14 -3.300483838848e-14 -2.88391791744e-14 ] [ -1.538089555968e-14 6.889359469440001e-15 1.265719530432e-14 ] [ 2.72370025536e-14 4.32587687616e-15 1.153567166976e-14 ] [ 5.76783583488e-15 -4.32587687616e-15 1.329806595264e-14 ] [ -2.835852618816e-14 -4.774486329984001e-14 -1.746372516672e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.040115 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.929039076474339e-18 } }