{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.9247977 -9.2194002 4.9116546 ] [ -7.379935 13.8164419 -2.2706128 ] [ -13.1430741 -4.7079221 -1.8260761 ] [ 0.9175049 -6.2587618 -13.3187961 ] [ 3.8103392 3.1378487 13.993017 ] [ 3.1272173 -2.5724288 0.4559894 ] [ 9.7431501 5.8042224 -1.9451761 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.686042495509612e-09 -1.477110745823885e-08 7.869338169564776e-09 ] [ -1.182395932002365e-08 2.213638019482153e-08 -3.637922743049226e-09 ] [ -2.1057526048462e-08 -7.54292272116764e-09 -2.925696435221643e-09 ] [ 1.470004900249442e-09 -1.002764183111613e-08 -2.133906372862222e-08 ] [ 6.104836383557775e-09 5.027387826747673e-09 2.241928469185695e-08 ] [ 5.0103544462213e-09 -4.121485282032599e-09 7.305755560126195e-10 ] [ 1.561024730316518e-08 9.299389431203666e-09 -3.116515670758923e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.2795579 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.326531409793995e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6451056 2.3920254 3.8085782 ] [ 1.6040462 5.4187105 2.7077788 ] [ 0.9742116 3.1633312 2.1971127 ] [ 2.5191219 2.6194115 0.4477861 ] [ 2.9102569 4.5667838 4.7968194 ] [ 4.289113 2.8260151 2.0500271 ] [ 4.1727823 5.1573255 2.5937878 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6451056e-10 2.3920254e-10 3.8085782e-10 ] [ 1.6040462e-10 5.4187105e-10 2.7077788e-10 ] [ 9.742116e-11 3.1633312e-10 2.1971127e-10 ] [ 2.5191219e-10 2.6194115e-10 4.477861e-11 ] [ 2.9102569e-10 4.5667838e-10 4.796819400000001e-10 ] [ 4.289113000000001e-10 2.8260151e-10 2.0500271e-10 ] [ 4.1727823e-10 5.1573255e-10 2.5937878e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.5e-06 -3.39e-05 1.33e-05 ] [ -2.42e-05 5.7e-06 -1.44e-05 ] [ -2.52e-05 -4.2e-06 -1.9e-06 ] [ -1.15e-05 1.03e-05 4.6e-06 ] [ -2.3e-06 1.44e-05 1.16e-05 ] [ 3.32e-05 1.9e-05 -6.8e-06 ] [ 3.75e-05 -1.12e-05 -6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.2016324656e-14 -5.431378744512e-14 2.130894905664e-14 ] [ -3.877267422336e-14 9.13240673856e-15 -2.307134333952e-14 ] [ -4.037485084416e-14 -6.72914180736e-15 -3.04413557952e-15 ] [ -1.84250311392e-14 1.650241919424e-14 7.370012455680001e-15 ] [ -3.68500622784e-15 2.307134333952e-14 1.858524880128e-14 ] [ 5.319226381056e-14 3.04413557952e-14 -1.089480102144e-14 ] [ 6.008162327999999e-14 -1.794437815296e-14 -1.04141480352e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }