{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.8379305 3.1476838 -2.0348074 ] [ -0.5503698 2.9256641 0.9624872 ] [ -6.8538959 -5.59663 1.5412377 ] [ 0.8297676 -1.9076178 1.5383544 ] [ -2.6466757 0.4536967 -1.1894807 ] [ 5.0977274 2.0544293 2.7894429 ] [ 1.2855159 -1.0772261 -3.6072341 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.546865936015937e-09 5.043145435580329e-09 -3.260120870970291e-09 ] [ -8.817896336192532e-10 4.68743065995264e-09 1.542074502364085e-09 ] [ -1.09811518628484e-08 -8.96678981514342e-09 2.469335030379901e-09 ] [ 1.329434260370258e-09 -3.056340665762485e-09 2.464715474491089e-09 ] [ -4.240441964315593e-09 7.269022516629078e-10 -1.905758184133964e-09 ] [ 8.167459726781571e-09 3.291558620664975e-09 4.469180236257198e-09 ] [ 2.05962353761548e-09 -1.725906486954947e-09 -5.779426188388019e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.46012806491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.316767931025667e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7770244 1.8419559 3.4404983 ] [ 3.0176162 5.7868917 2.3923796 ] [ 2.6670651 3.6142583 1.7624894 ] [ 4.5789735 2.1200483 1.4782858 ] [ 5.2347146 2.7494631 3.9978982 ] [ 4.848736 4.4198837 2.2572915 ] [ 3.2491732 4.1729901 3.9991302 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7770244e-10 1.8419559e-10 3.4404983e-10 ] [ 3.0176162e-10 5.7868917e-10 2.3923796e-10 ] [ 2.6670651e-10 3.6142583e-10 1.7624894e-10 ] [ 4.5789735e-10 2.1200483e-10 1.4782858e-10 ] [ 5.2347146e-10 2.7494631e-10 3.9978982e-10 ] [ 4.848736e-10 4.4198837e-10 2.2572915e-10 ] [ 3.2491732e-10 4.1729901e-10 3.9991302e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.66e-05 -1.83e-05 -8.62e-05 ] [ -2.76e-05 -9.12e-05 -6.72e-05 ] [ 0.0002193 0.0001441 0.0002695 ] [ -3.14e-05 4.8e-05 9.25e-05 ] [ -0.0001299 0.0001283 -0.0002129 ] [ -0.0001522 -0.0002198 0.0001668 ] [ 6.5e-05 9e-06 -0.0001625 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.06831974844e-14 -2.93198324022e-14 -1.381076258508e-13 ] [ -4.42200750984e-14 -1.461185090208e-13 -1.076662698048e-13 ] [ 3.513573358362e-13 2.308736529594e-13 4.317866028629999e-13 ] [ -5.030834630759999e-14 7.690447843199999e-14 1.48201338645e-13 ] [ -2.081227447566e-13 2.055592621422e-13 -3.411034053786e-13 ] [ -2.438512836948e-13 -3.521584241532e-13 2.672430625512e-13 ] [ 1.0414148121e-13 1.4419589706e-14 -2.60353703025e-13 ] ] } "relaxed-potential-energy" { "source-value" -18.34669006491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.939463813324898e-18 } }