{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5633223 0.534565 2.657113 ] [ 0.571871 1.718695 0.3060373 ] [ 0.67165 2.82724 1.843012 ] [ 2.670346 0.5025148 0.7068498 ] [ 2.297338 0.3834159 2.609917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.633223000000001e-11 5.34565e-11 2.657113e-10 ] [ 5.71871e-11 1.718695e-10 3.060373e-11 ] [ 6.7165e-11 2.82724e-10 1.843012e-10 ] [ 2.670346e-10 5.025148000000001e-11 7.068498e-11 ] [ 2.297338e-10 3.834159e-11 2.609917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -32.7935746 2.3240082 10.2504317 ] [ -0.5657747 -8.0312196 -11.5824387 ] [ -0.1485829 9.0090669 11.0638856 ] [ 12.0096013 0.4644072 -19.3284276 ] [ 21.4983309 -3.7662627 9.596549 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.254109896945589e-08 3.723471635264398e-09 1.642300215815289e-08 ] [ -9.064710044483596e-10 -1.286743238564283e-08 -1.855711264987733e-08 ] [ -2.380560505919586e-10 1.443411648132281e-08 1.772629898956907e-08 ] [ 1.924150258651602e-08 7.440623645013648e-10 -3.09675550726807e-08 ] [ 3.444412343798019e-08 -6.034218095445751e-09 1.537536657483607e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.15867573 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.542265469888928e-20 } "relaxed-configuration-positions" { "source-value" [ [ 0.5039631 0.9515588 2.8022825 ] [ 0.8151778 1.5787435 0.3094248 ] [ -0.0001687 3.2467336 1.9720429 ] [ 2.8693618 0.3800312 0.385464 ] [ 2.5861933 -0.1906365 2.6537149 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.039631e-11 9.515588000000001e-11 2.8022825e-10 ] [ 8.151778e-11 1.5787435e-10 3.094248e-11 ] [ -1.687e-14 3.246733600000001e-10 1.9720429e-10 ] [ 2.8693618e-10 3.800312e-11 3.85464e-11 ] [ 2.5861933e-10 -1.906365e-11 2.653714900000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.9e-06 -9e-07 2.4e-06 ] [ 5.5e-06 -4.4e-06 9e-06 ] [ 4e-07 -1.6e-06 -4.4e-06 ] [ -1e-06 4.2e-06 -3.1e-06 ] [ -8.8e-06 2.6e-06 -3.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.248488872599999e-15 -1.4419589706e-15 3.845223921599999e-15 ] [ 8.811971486999999e-15 -7.0495771896e-15 1.4419589706e-14 ] [ 6.408706536e-16 -2.5634826144e-15 -7.0495771896e-15 ] [ -1.602176634e-15 6.729141862799999e-15 -4.9667475654e-15 ] [ -1.40991543792e-14 4.165659248399999e-15 -6.248488872599999e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.164352 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.788726390815117e-18 } }