{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.058884 2.441785 3.519822 ] [ 1.92668 3.148467 1.175123 ] [ 5.519963 2.275692 0.7370638 ] [ 3.694005 1.670931 2.395445 ] [ 3.953137 3.917443 1.57665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.058884e-10 2.441785e-10 3.519822e-10 ] [ 1.92668e-10 3.148467e-10 1.175123e-10 ] [ 5.519963e-10 2.275692e-10 7.370638000000001e-11 ] [ 3.694005e-10 1.670931e-10 2.395445e-10 ] [ 3.953137e-10 3.917443e-10 1.57665e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9922491 -0.3894142 3.1807479 ] [ -2.6910497 1.0292283 -1.7277796 ] [ 0.2997846 -0.0159385 -0.0181536 ] [ 2.8894007 -3.3753253 0.2604072 ] [ 2.4941135 2.7514497 -1.695222 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.794111551629842e-09 -6.239103270475353e-10 5.096119922038696e-09 ] [ -4.311536914750854e-09 1.649005519725729e-09 -2.768208081015176e-09 ] [ 4.803078773958798e-10 -2.55362920706208e-11 -2.908527350335488e-11 ] [ 4.629330249663155e-09 -5.407867283254747e-09 4.172183277279898e-10 ] [ 3.996010339321661e-09 4.408308382647174e-09 -2.716045055465818e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.329351 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.65494446802371e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9975906 2.0580643 3.134676 ] [ 1.797467 3.8049285 1.5509413 ] [ 5.2884417 2.3306891 1.2114161 ] [ 4.0964858 1.0247042 2.7830101 ] [ 3.9726838 4.2359319 0.7240603 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9975906e-10 2.0580643e-10 3.134676e-10 ] [ 1.797467e-10 3.8049285e-10 1.5509413e-10 ] [ 5.2884417e-10 2.3306891e-10 1.2114161e-10 ] [ 4.0964858e-10 1.0247042e-10 2.7830101e-10 ] [ 3.9726838e-10 4.2359319e-10 7.240603000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5e-06 6e-06 5e-07 ] [ -6.1e-06 -4.9e-06 3.3e-06 ] [ 3.3e-06 -1.1e-06 -3e-07 ] [ 3.3e-06 -4.9e-06 -6e-07 ] [ 4.5e-06 4.9e-06 -3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.010883104e-15 9.6130597248e-15 8.010883104e-16 ] [ -9.77327738688e-15 -7.850665441919999e-15 5.28718284864e-15 ] [ 5.28718284864e-15 -1.76239428288e-15 -4.8065298624e-16 ] [ 5.28718284864e-15 -7.850665441919999e-15 -9.6130597248e-16 ] [ 7.2097947936e-15 7.850665441919999e-15 -4.8065298624e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.976835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.239335826977917e-18 } }