{ "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" [ [ 0.5353879 0.9970923 2.660459 ] [ 0.8434423 2.30713 1.528251 ] [ 1.912844 1.041012 0.0827139 ] [ 2.263312 0.2132627 1.656325 ] [ 2.91731 1.870919 1.650254 ] [ 2.184429 2.813613 2.907386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.353879e-11 9.970923e-11 2.660459e-10 ] [ 8.434423e-11 2.30713e-10 1.528251e-10 ] [ 1.912844e-10 1.041012e-10 8.27139e-12 ] [ 2.263312e-10 2.132627e-11 1.656325e-10 ] [ 2.91731e-10 1.870919e-10 1.650254e-10 ] [ 2.184429e-10 2.813613e-10 2.907386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.6538969 -12.1179054 13.2483364 ] [ -9.0411714 14.6850894 -15.4828786 ] [ -5.5952388 2.8784526 -18.8786479 ] [ 0.1357476 -24.1427294 11.3926561 ] [ 25.1610602 6.6966889 -9.312552 ] [ -4.0065007 12.000404 19.0330861 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.06607180503936e-08 -1.941502472494607e-08 2.122617484457364e-08 ] [ -1.448555344172561e-08 2.35281069110379e-08 -2.480630611560464e-08 ] [ -8.964560793153047e-09 4.611789459800974e-09 -3.024692829769501e-08 ] [ 2.174916310497101e-10 -3.868091660698081e-08 1.825304725223451e-08 ] [ 4.031246240698137e-08 1.072927839235087e-08 -1.492035309438428e-08 ] [ -6.419121752758834e-09 1.922676672895481e-08 3.049436557109344e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.792406 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.076104229781645e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1632255 1.0277412 3.1618756 ] [ 0.8580427 2.3203481 1.2433601 ] [ 2.0123349 0.9286901 -0.3582641 ] [ 2.137512 0.3059161 1.9721414 ] [ 3.3057273 2.3000126 1.1615053 ] [ 2.1798827 2.3603209 3.3047707 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.632255e-11 1.0277412e-10 3.1618756e-10 ] [ 8.580427000000001e-11 2.3203481e-10 1.2433601e-10 ] [ 2.0123349e-10 9.286901e-11 -3.582641e-11 ] [ 2.137512e-10 3.059161000000001e-11 1.9721414e-10 ] [ 3.3057273e-10 2.3000126e-10 1.1615053e-10 ] [ 2.1798827e-10 2.3603209e-10 3.3047707e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.3e-06 7e-07 7e-07 ] [ -8.6e-06 3.8e-06 -9e-07 ] [ -1e-07 -8.6e-06 -7.5e-06 ] [ 7e-07 7e-06 -3.8e-06 ] [ 8.4e-06 -1.6e-06 -2.4e-06 ] [ -4.6e-06 -1.4e-06 1.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.889359469440001e-15 1.12152363456e-15 1.12152363456e-15 ] [ -1.377871893888e-14 6.08827115904e-15 -1.44195895872e-15 ] [ -1.6021766208e-16 -1.377871893888e-14 -1.2016324656e-14 ] [ 1.12152363456e-15 1.12152363456e-14 -6.08827115904e-15 ] [ 1.345828361472e-14 -2.56348259328e-15 -3.84522388992e-15 ] [ -7.370012455680001e-15 -2.24304726912e-15 2.211003736704e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.902638 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.829624777904567e-18 } }