{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0317926 0.0463887 1.270674 ] [ 0.0111454 2.887791 2.968384 ] [ 2.5478 0.1715431 0.0845133 ] [ 1.93577 0.0052704 2.481441 ] [ 2.875434 2.93696 0.1676441 ] [ 2.282488 2.689422 2.770272 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.17926e-12 4.63887e-12 1.270674e-10 ] [ 1.11454e-12 2.887791e-10 2.968384e-10 ] [ 2.5478e-10 1.715431e-11 8.451330000000001e-12 ] [ 1.93577e-10 5.270399999999999e-13 2.481441e-10 ] [ 2.875434e-10 2.93696e-10 1.676441e-11 ] [ 2.282488e-10 2.689422e-10 2.770272e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.9292611 1.3176162 0.2513067 ] [ 2.9052523 -1.6113149 -1.0218837 ] [ -3.0818428 2.5787861 5.2926818 ] [ -0.1711062 3.9622639 -4.2881422 ] [ -1.3998261 -3.2736108 3.3840608 ] [ -2.1817384 -2.9737404 -3.6180234 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.295370271438891e-09 2.111053870827337e-09 4.026377193903994e-10 ] [ 4.654727312585428e-09 -2.58161106152669e-09 -1.637238173316601e-09 ] [ -4.93765648314081e-09 4.13167079946401e-09 8.479811041293662e-09 ] [ -2.74142353313929e-10 6.34824658601983e-09 -6.870361179505878e-09 ] [ -2.242768650605643e-09 -5.244902689358385e-09 5.421863097125744e-09 ] [ -3.495530257181599e-09 -4.76445734520844e-09 -5.796712504987327e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.879904 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.704458755014841e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6406263 1.2749148 1.001626 ] [ 0.289851 2.0218602 3.0502239 ] [ 2.7113401 0.5004085 0.8518226 ] [ 1.5629226 0.2333906 2.7263743 ] [ 2.1836667 2.4621909 -0.041029 ] [ 2.2960234 2.2446103 2.1539106 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.406263e-11 1.2749148e-10 1.001626e-10 ] [ 2.89851e-11 2.0218602e-10 3.0502239e-10 ] [ 2.7113401e-10 5.004085e-11 8.518226e-11 ] [ 1.5629226e-10 2.333906e-11 2.7263743e-10 ] [ 2.1836667e-10 2.4621909e-10 -4.1029e-12 ] [ 2.2960234e-10 2.2446103e-10 2.1539106e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.84e-05 1.37e-05 6.4e-06 ] [ -3.95e-05 2.33e-05 2.62e-05 ] [ 1.51e-05 1.3e-06 2.32e-05 ] [ -4.2e-06 -2.51e-05 -9.8e-06 ] [ -2.53e-05 1.02e-05 -2.2e-06 ] [ 1.56e-05 -2.34e-05 -4.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.152358223872e-14 2.194981970496e-14 1.025393037312e-14 ] [ -6.32859765216e-14 3.733071526464e-14 4.197702746496e-14 ] [ 2.419286697408e-14 2.08282960704e-15 3.717049760256e-14 ] [ -6.72914180736e-15 -4.021463318208e-14 -1.570133088384e-14 ] [ -4.053506850624e-14 1.634220153216e-14 -3.52478856576e-15 ] [ 2.499395528448e-14 -3.749093292672001e-14 -7.033555365312e-14 ] ] } "relaxed-potential-energy" { "source-value" -39.006818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.249581185140063e-18 } }