{ "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" [ [ 2.510917 2.898515 1.87318 ] [ 1.068289 2.930408 3.679489 ] [ 1.738918 4.773151 2.611531 ] [ 3.136153 2.016935 3.60422 ] [ 3.930075 4.659698 3.066974 ] [ 4.662989 3.229538 1.53666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.510917e-10 2.898515000000001e-10 1.87318e-10 ] [ 1.068289e-10 2.930408e-10 3.679489e-10 ] [ 1.738918e-10 4.773151000000001e-10 2.611531e-10 ] [ 3.136153000000001e-10 2.016935e-10 3.604220000000001e-10 ] [ 3.930075e-10 4.659698e-10 3.066974e-10 ] [ 4.662989e-10 3.229538e-10 1.53666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.5192924 -4.0480051 -27.0453653 ] [ -12.3092923 -3.2315222 9.192264 ] [ -7.5829544 16.8961045 -1.3230218 ] [ 10.8052402 -14.6109049 19.3312252 ] [ 5.4055119 6.9991787 6.7521791 ] [ 8.2007869 -2.004851 -6.9072812 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.240704625839122e-09 -6.485619132099167e-09 -4.333145198465558e-08 ] [ -1.972166034165346e-08 -5.177469318436182e-09 1.472763047302149e-08 ] [ -1.214923225627249e-08 2.707054361249367e-08 -2.119714596768733e-09 ] [ 1.731190323056832e-08 -2.340925023951216e-08 3.09720370668598e-08 ] [ 8.660584789636187e-09 1.121392047794134e-08 1.081818349347439e-08 ] [ 1.313910904334291e-08 -3.212125400387501e-09 -1.106668445193137e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.826504 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.130735248197684e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0980859 2.5904265 1.376306 ] [ 1.1281707 2.9321352 3.7175997 ] [ 1.7824071 4.9728698 2.4152341 ] [ 3.5134592 2.1187441 3.690983 ] [ 3.9942438 4.6891243 3.5603758 ] [ 4.5309743 3.204945 1.6115555 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0980859e-10 2.5904265e-10 1.376306e-10 ] [ 1.1281707e-10 2.9321352e-10 3.7175997e-10 ] [ 1.7824071e-10 4.9728698e-10 2.4152341e-10 ] [ 3.5134592e-10 2.1187441e-10 3.690983e-10 ] [ 3.9942438e-10 4.6891243e-10 3.5603758e-10 ] [ 4.5309743e-10 3.204945e-10 1.6115555e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.37e-05 3.29e-05 -1.08e-05 ] [ -6.6e-06 -1.56e-05 6e-07 ] [ 3.8e-06 -1.19e-05 2.98e-05 ] [ 1.33e-05 5.43e-05 -2.27e-05 ] [ -1.75e-05 -5.5e-06 -2.15e-05 ] [ -1.67e-05 -5.42e-05 2.47e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.797158591296e-14 5.271161082432e-14 -1.730350750464e-14 ] [ -1.057436569728e-14 -2.499395528448e-14 9.6130597248e-16 ] [ 6.08827115904e-15 -1.906590178752e-14 4.774486329984001e-14 ] [ 2.130894905664e-14 8.699819050944e-14 -3.636940929216e-14 ] [ -2.8038090864e-14 -8.8119714144e-15 -3.44467973472e-14 ] [ -2.675634956736e-14 -8.683797284736e-14 3.957376253376001e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.824633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.535385702534017e-18 } }