{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6838177 -9.3627408 -6.2073023 ] [ -2.0423151 -0.0505931 3.895059 ] [ 1.3341434 3.4271803 -3.435289 ] [ -2.226463 4.4468733 3.444655 ] [ 3.6618747 -1.3347713 4.1075751 ] [ -0.1655582 2.2371337 -2.7510443 ] [ 1.122136 0.636918 0.9463466 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.697773352629228e-09 -1.500076441637029e-08 -9.945194623298068e-09 ] [ -3.272149505526814e-09 -8.105908199379648e-11 6.240572466436627e-09 ] [ 2.137533364274623e-09 5.490948151926329e-09 -5.503939721491411e-09 ] [ -3.56718696567623e-09 7.124676436919745e-09 5.518945707721824e-09 ] [ 5.866970032639013e-09 -2.138539370974823e-09 6.581060793400222e-09 ] [ -2.652534774217305e-10 3.584283311743801e-09 -4.407658860245102e-09 ] [ 1.797860064558029e-09 1.020455128966694e-09 1.516214397693569e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.407365 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.308314337033219e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5769891 1.737617 1.6474186 ] [ 2.2139231 2.3479798 4.0497789 ] [ 2.6750602 4.0740356 0.9261268 ] [ 2.0394742 4.7521493 3.1425836 ] [ 4.6893505 2.4332537 2.9587858 ] [ 5.0531141 3.8870651 1.0671845 ] [ 3.9610417 4.1527125 4.6828228 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5769891e-10 1.737617e-10 1.6474186e-10 ] [ 2.2139231e-10 2.3479798e-10 4.0497789e-10 ] [ 2.6750602e-10 4.0740356e-10 9.261268e-11 ] [ 2.0394742e-10 4.7521493e-10 3.1425836e-10 ] [ 4.6893505e-10 2.4332537e-10 2.9587858e-10 ] [ 5.053114100000001e-10 3.8870651e-10 1.0671845e-10 ] [ 3.9610417e-10 4.1527125e-10 4.682822800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.28e-05 9.6e-06 3.72e-05 ] [ 8.8e-06 -6.7e-06 -2.17e-05 ] [ -4.71e-05 -1.93e-05 2.75e-05 ] [ 5.1e-06 1.67e-05 -3.16e-05 ] [ -4.23e-05 1.01e-05 -5e-06 ] [ 5.41e-05 1.82e-05 -5.7e-06 ] [ 8.6e-06 -2.87e-05 -7e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.050786074624e-14 1.538089555968e-14 5.960097029376001e-14 ] [ 1.409915426304e-14 -1.073458335936e-14 -3.476723267136e-14 ] [ -7.546251883968001e-14 -3.092200878144e-14 4.4059857072e-14 ] [ 8.17110076608e-15 2.675634956736e-14 -5.062878121728e-14 ] [ -6.777207105984e-14 1.618198387008e-14 -8.010883104e-15 ] [ 8.667775518528e-14 2.915961449856e-14 -9.13240673856e-15 ] [ 1.377871893888e-14 -4.598246901696e-14 -1.12152363456e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.306567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.77281770337088e-18 } }