{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.371302 1.822431 2.77878 ] [ 1.953583 1.464236 4.887458 ] [ 2.036561 3.993513 4.302634 ] [ 4.621904 2.219697 2.273588 ] [ 4.551448 2.283743 4.505208 ] [ 4.054448 4.223119 3.103646 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.371302e-10 1.822431e-10 2.77878e-10 ] [ 1.953583e-10 1.464236e-10 4.887458e-10 ] [ 2.036561e-10 3.993513e-10 4.302634e-10 ] [ 4.621904e-10 2.219697e-10 2.273588e-10 ] [ 4.551448e-10 2.283743e-10 4.505208e-10 ] [ 4.054448e-10 4.223119e-10 3.103646e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6552951 -0.6763068 -10.3954183 ] [ -0.4169243 -1.3700386 8.3319907 ] [ -2.1731409 0.8765089 0.1415388 ] [ 1.4204649 -5.8173051 -9.0471905 ] [ 2.4600614 -1.8924439 9.8273599 ] [ 0.3648341 8.8795855 1.1417193 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.652075131594693e-09 -1.083562952375311e-09 -1.6655296300916e-08 ] [ -6.679863716068061e-10 -2.195043832598072e-09 1.33493208142453e-08 ] [ -3.48175557236973e-09 1.404322079073043e-09 2.267701581643992e-10 ] [ 2.275835672197147e-09 -9.320350304069031e-09 -1.449519722244678e-08 ] [ 3.941452893285327e-09 -3.032029397735832e-09 1.574516640568857e-08 ] [ 5.845286703064194e-10 1.422666440770521e-08 1.829235985046836e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.499556 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.68221432905745e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0163357 1.7386394 2.5179813 ] [ 2.3622143 1.7044835 5.0356485 ] [ 1.7971536 3.8857933 3.860046 ] [ 4.4289486 2.1882753 2.1926351 ] [ 4.7748271 2.1541186 4.7103026 ] [ 4.2097667 4.3354288 3.5347005 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0163357e-10 1.7386394e-10 2.5179813e-10 ] [ 2.3622143e-10 1.7044835e-10 5.0356485e-10 ] [ 1.7971536e-10 3.8857933e-10 3.860046e-10 ] [ 4.4289486e-10 2.1882753e-10 2.1926351e-10 ] [ 4.774827100000001e-10 2.1541186e-10 4.710302600000001e-10 ] [ 4.2097667e-10 4.3354288e-10 3.5347005e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6e-07 1.1e-06 -1.6e-06 ] [ -3.3e-06 -2.9e-06 3.8e-06 ] [ 1e-06 0.0 -4e-07 ] [ -4e-07 2e-07 0.0 ] [ 1.9e-06 5e-07 -2e-07 ] [ 1e-07 1.1e-06 -1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.613059803999998e-16 1.7623942974e-15 -2.5634826144e-15 ] [ -5.2871828922e-15 -4.6463122386e-15 6.088271209199999e-15 ] [ 1.602176634e-15 0.0 -6.408706536e-16 ] [ -6.408706536e-16 3.204353268e-16 0.0 ] [ 3.0441356046e-15 8.010883169999999e-16 -3.204353268e-16 ] [ 1.602176634e-16 1.7623942974e-15 -2.5634826144e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.599118 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.659471900460881e-18 } }