{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.366262 -4.608059 -3.018598 ] [ -2.4204457 -5.7078227 7.7946494 ] [ -4.0416683 5.9511908 -4.2281374 ] [ 3.0038995 0.7073999 -0.9742203 ] [ 1.1843488 -0.5880865 -0.5765933 ] [ -0.7067345 -1.6227027 1.1664642 ] [ 3.3468622 5.8680802 -0.1635646 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.868164134874495e-10 -7.382924397067027e-09 -4.836327143193638e-09 ] [ -3.877981512455891e-09 -9.144940085611533e-09 1.248840503601275e-08 ] [ -6.475466459288481e-09 9.534858765680048e-09 -6.774222891810097e-09 ] [ 4.812777550132811e-09 1.133379581336258e-09 -1.560872988168762e-09 ] [ 1.897535958232535e-09 -9.42218441308099e-10 -9.238043049699206e-10 ] [ -1.132313493012778e-09 -2.599856328449036e-09 1.868881670240175e-09 ] [ 5.362264369879253e-09 9.401700905419387e-09 -2.620593781105037e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.6154315 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.380344292740388e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6141787 2.245539 2.2038423 ] [ 2.8813905 1.7539362 4.4357566 ] [ 1.9328721 4.3592836 2.6904366 ] [ 4.9160488 2.6372171 2.0643083 ] [ 4.7119662 3.1474684 4.4412439 ] [ 5.0167234 4.911549 1.7322103 ] [ 3.8145763 5.1680287 3.677358 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6141787e-10 2.245539e-10 2.2038423e-10 ] [ 2.8813905e-10 1.7539362e-10 4.4357566e-10 ] [ 1.9328721e-10 4.3592836e-10 2.6904366e-10 ] [ 4.916048800000001e-10 2.6372171e-10 2.0643083e-10 ] [ 4.7119662e-10 3.1474684e-10 4.4412439e-10 ] [ 5.016723400000001e-10 4.911549e-10 1.7322103e-10 ] [ 3.8145763e-10 5.1680287e-10 3.677358e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.14e-05 5.5e-06 -4.42e-05 ] [ -1.57e-05 -2.79e-05 7.9e-06 ] [ -8.7e-06 1.11e-05 2.79e-05 ] [ 1.5e-06 1.6e-06 -7.6e-06 ] [ -1.88e-05 4.57e-05 3.05e-05 ] [ -3.36e-05 -2.47e-05 -1.1e-05 ] [ 4.38e-05 -1.13e-05 -3.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.030834589312e-14 8.8119714144e-15 -7.081620663936001e-14 ] [ -2.515417294656e-14 -4.470072772032e-14 1.265719530432e-14 ] [ -1.393893660096e-14 1.778416049088e-14 4.470072772032e-14 ] [ 2.4032649312e-15 2.56348259328e-15 -1.217654231808e-14 ] [ -3.012092047104e-14 7.321947157056e-14 4.88663869344e-14 ] [ -5.383313445888e-14 -3.957376253376001e-14 -1.76239428288e-14 ] [ 7.017533599104001e-14 -1.810459581504e-14 -5.44740051072e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.23956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281429012247885e-18 } }