{ "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" [ [ 1.971858 1.613185 3.540739 ] [ 1.980532 3.696797 1.101352 ] [ 1.421419 3.841396 3.166588 ] [ 2.933735 5.314328 3.389927 ] [ 3.610376 2.128489 1.767833 ] [ 4.452161 4.502678 1.60274 ] [ 4.038762 3.260824 3.402783 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.971858e-10 1.613185e-10 3.540739e-10 ] [ 1.980532e-10 3.696797e-10 1.101352e-10 ] [ 1.421419e-10 3.841396e-10 3.166588e-10 ] [ 2.933735e-10 5.314328e-10 3.389927e-10 ] [ 3.610376e-10 2.128489e-10 1.767833e-10 ] [ 4.452161e-10 4.502678000000001e-10 1.60274e-10 ] [ 4.038762e-10 3.260824e-10 3.402783e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3301013 0.8486727 -0.7899068 ] [ 3.2439583 1.2663244 -2.6200771 ] [ -4.8547887 -1.829562 4.0064122 ] [ 3.0152997 1.4056424 -2.2370603 ] [ -1.1168374 -3.1819674 -4.883833 ] [ -2.9639195 -0.1400846 -0.2820236 ] [ 1.3461862 1.6309745 6.8064886 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.131057223713024e-09 1.359723569853692e-09 -1.265570217997711e-09 ] [ 5.197394189930362e-09 2.02887536474407e-09 -4.197826308898481e-09 ] [ -7.778229018147236e-09 -2.931281486854307e-09 6.418980013012533e-09 ] [ 4.831042723847209e-09 2.252087409039681e-09 -3.58416574150903e-09 ] [ -1.789370786257312e-09 -5.09807381842973e-09 -7.824763116958122e-09 ] [ -4.748722567956962e-09 -2.244402729032364e-10 -4.518516221565624e-10 ] [ 2.156828074653251e-09 2.613109234549833e-09 1.090519699450737e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -27.417297 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.39273526208383e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2093167 1.7411093 3.5098619 ] [ 2.0788453 3.8199375 1.0276176 ] [ 1.2653409 3.8143358 3.2037766 ] [ 3.0141902 5.285617 3.3053726 ] [ 3.5518532 2.112063 1.6370019 ] [ 4.2556587 4.3634187 1.5994246 ] [ 4.0336381 3.2212158 3.6889067 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2093167e-10 1.7411093e-10 3.5098619e-10 ] [ 2.0788453e-10 3.8199375e-10 1.0276176e-10 ] [ 1.2653409e-10 3.8143358e-10 3.2037766e-10 ] [ 3.0141902e-10 5.285617e-10 3.3053726e-10 ] [ 3.5518532e-10 2.112063e-10 1.6370019e-10 ] [ 4.2556587e-10 4.363418700000001e-10 1.5994246e-10 ] [ 4.0336381e-10 3.2212158e-10 3.6889067e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.66e-05 -1.75e-05 -2.08e-05 ] [ -6.33e-05 -3.98e-05 -3.75e-05 ] [ 4.44e-05 -1.17e-05 -1.34e-05 ] [ 1.71e-05 4.28e-05 2.4e-05 ] [ 1.08e-05 4.27e-05 4.92e-05 ] [ 1.32e-05 1.43e-05 -1.28e-05 ] [ 1.45e-05 -3.09e-05 1.14e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.86396648044e-14 -2.8038091095e-14 -3.332527398719999e-14 ] [ -1.014177809322e-13 -6.376663003319999e-14 -6.008162377499999e-14 ] [ 7.11366425496e-14 -1.87454666178e-14 -2.14691668956e-14 ] [ 2.73972204414e-14 6.857315993519999e-14 3.8452239216e-14 ] [ 1.73035076472e-14 6.84129422718e-14 7.882709039280001e-14 ] [ 2.11487315688e-14 2.29111258662e-14 -2.05078609152e-14 ] [ 2.3231561193e-14 -4.950725799059999e-14 1.82648136276e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.176908 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.834873688396767e-18 } }