{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9170083 -1.008311 -1.317299 ] [ -1.3612507 -0.2613101 2.8861584 ] [ 0.5407641 2.5676255 -0.8244835 ] [ -0.2422362 -0.2534308 0.3998189 ] [ 1.8685425 -2.3054087 -3.3971317 ] [ 2.1111887 1.2608352 2.252937 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.673562539444062e-09 -1.615492324005174e-09 -2.110545677791566e-09 ] [ -2.180964064556144e-09 -4.186649364482034e-10 4.624135550502825e-09 ] [ 8.663996055260392e-10 4.113789580962567e-09 -1.320968198818539e-09 ] [ -3.881051795489508e-10 -4.060409060959272e-10 6.405804994115824e-10 ] [ 2.993735133135945e-09 -3.693671950960316e-09 -5.442805032360697e-09 ] [ 3.382497205104835e-09 2.020080696764717e-09 3.609603019274058e-09 ] [ 0.0 0.0 0.0 ] ] } "unrelaxed-potential-energy" { "source-value" -9.9794198 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.598879322443695e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1543701 2.6208354 2.5731725 ] [ 0.910338 2.6604799 4.5068533 ] [ 1.3936465 3.7064871 0.694095 ] [ 1.4435868 3.7402251 6.4607238 ] [ 4.1591191 1.4955265 2.5185896 ] [ 5.8453045 1.618209 4.0708598 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1543701e-10 2.6208354e-10 2.5731725e-10 ] [ 9.10338e-11 2.6604799e-10 4.506853300000001e-10 ] [ 1.3936465e-10 3.7064871e-10 6.94095e-11 ] [ 1.4435868e-10 3.7402251e-10 6.460723800000001e-10 ] [ 4.1591191e-10 1.4955265e-10 2.5185896e-10 ] [ 5.8453045e-10 1.618209e-10 4.0708598e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.7e-06 -1.7e-05 1.03e-05 ] [ -4e-06 6.7e-06 1.46e-05 ] [ 1.03e-05 1.7e-06 -1.93e-05 ] [ -5.7e-06 8e-07 1.06e-05 ] [ -2.9e-06 9.7e-06 -1.8e-05 ] [ 6e-06 -2e-06 1.9e-06 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.9280535458e-15 -2.723700277799999e-14 1.65024193302e-14 ] [ -6.408706535999999e-15 1.07345834478e-14 2.33917788564e-14 ] [ 1.65024193302e-14 2.7237002778e-15 -3.09220090362e-14 ] [ -9.1324068138e-15 1.2817413072e-15 1.69830723204e-14 ] [ -4.6463122386e-15 1.55411133498e-14 -2.8839179412e-14 ] [ 9.613059803999999e-15 -3.204353268e-15 3.0441356046e-15 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -13.241848 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.121577945657963e-18 } }