{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.1244009e-10 5.621987000000001e-11 1.2367897e-10 ] [ 2.4060793e-10 3.3173406e-10 3.1533823e-10 ] [ 2.6656569e-10 -1.275971e-11 3.3669368e-10 ] [ 2.3706044e-10 1.7142299e-10 4.812261099999999e-10 ] [ 4.8438627e-10 8.619165e-11 2.9830668e-10 ] [ 3.6546746e-10 2.2767936e-10 1.515885e-10 ] [ 4.667064100000001e-10 1.7484603e-10 5.1012193e-10 ] ] "source-value" [ [ 2.1244009 0.5621987 1.2367897 ] [ 2.4060793 3.3173406 3.1533823 ] [ 2.6656569 -0.1275971 3.3669368 ] [ 2.3706044 1.7142299 4.8122611 ] [ 4.8438627 0.8619165 2.9830668 ] [ 3.6546746 2.2767936 1.515885 ] [ 4.6670641 1.7484603 5.1012193 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.54169299123712e-12 1.17231263343936e-12 4.83104316469824e-12 ] [ 8.361920001617281e-12 -5.83688964723648e-12 3.58615193033664e-12 ] [ 3.7843411783296e-12 -5.90786607153792e-12 -4.49362476835776e-12 ] [ -2.57662044157056e-12 6.137137545974401e-12 -4.84754558389248e-12 ] [ -5.54385154329216e-12 -1.858524880128e-12 -2.19065609361984e-12 ] [ -5.8423370477472e-12 2.66425950272832e-12 -1.39677757801344e-12 ] [ -7.2514513857408e-13 3.62941069909824e-12 4.511408928848639e-12 ] ] "source-value" [ [ 0.0015864 0.0007317 0.0030153 ] [ 0.0052191 -0.0036431 0.0022383 ] [ 0.002362 -0.0036874 -0.0028047 ] [ -0.0016082 0.0038305 -0.0030256 ] [ -0.0034602 -0.00116 -0.0013673 ] [ -0.0036465 0.0016629 -0.0008718 ] [ -0.0004526 0.0022653 0.0028158 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.611946333060872e-18 "source-value" -22.543996 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.275700610126598e-09 -2.505897000957544e-09 -1.244902129162621e-09 ] [ -3.351033472540213e-09 6.29555660457989e-09 1.312791639768766e-09 ] [ -1.52184829156295e-10 -3.597012284560733e-09 1.536401983333312e-09 ] [ 2.105929308905708e-09 -1.090695353110877e-09 -2.349939526512252e-09 ] [ 2.635747167584563e-09 -1.742576800039663e-09 -1.775380885697557e-09 ] [ 1.561567371516217e-09 1.582842194210834e-09 -5.726358686520729e-10 ] [ -1.524324775965721e-09 1.057782639878093e-09 3.093664786922425e-09 ] ] "source-value" [ [ -0.7962297 -1.5640579 -0.7770068 ] [ -2.0915506 3.9293774 0.8193801 ] [ -0.0949863 -2.2450785 0.9589467 ] [ 1.3144177 -0.6807585 -1.4667169 ] [ 1.645104 -1.0876309 -1.1081056 ] [ 0.9746537 0.9879324 -0.3574112 ] [ -0.9514087 0.660216 1.9309137 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.004074434858193e-18 "source-value" -18.749958 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] "source-value" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] } "instance-id" 1 }