{ "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" [ [ -1.6838171 -9.3627384 -6.2073023 ] [ -2.042315 -0.0505932 3.8950582 ] [ 1.3341432 3.4271779 -3.4352876 ] [ -2.2264628 4.4468734 3.4446547 ] [ 3.6618745 -1.3347705 4.1075732 ] [ -0.1655588 2.2371328 -2.7510427 ] [ 1.122136 0.636918 0.9463465 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.697772413549641e-09 -1.500076069473454e-08 -9.945194705234458e-09 ] [ -3.272149372267709e-09 -8.10592428792888e-11 6.240571236110098e-09 ] [ 2.137533061449989e-09 5.490944351941188e-09 -5.503937523789939e-09 ] [ -3.567186674630215e-09 7.124676655836136e-09 5.518945272538279e-09 ] [ 5.866969760540432e-09 -2.138538106852497e-09 6.581057803484608e-09 ] [ -2.652544409130792e-10 3.584281899314995e-09 -4.407656333076272e-09 ] [ 1.797860079370224e-09 1.020455137374012e-09 1.516214249967681e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.407366 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.308314516268604e-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 -2.18e-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 -6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.05078609152e-14 1.53808956864e-14 5.96009707848e-14 ] [ 1.40991543792e-14 -1.07345834478e-14 -3.492745062119999e-14 ] [ -7.546251946139999e-14 -3.09220090362e-14 4.4059857435e-14 ] [ 8.1711008334e-15 2.67563497878e-14 -5.06287816344e-14 ] [ -6.77720716182e-14 1.61819840034e-14 -8.010883169999999e-15 ] [ 8.66777558994e-14 2.915961473879999e-14 -9.1324068138e-15 ] [ 1.37787190524e-14 -4.598246939579999e-14 -9.613059803999998e-16 ] ] } "relaxed-potential-energy" { "source-value" -17.306567 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.772817726215548e-18 } }