{ "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" [ [ 0.0409622 2.87289 0.6143003 ] [ 0.4467191 2.12103 2.019138 ] [ 1.9155 0.4332474 1.113336 ] [ 2.832667 2.287938 0.2396185 ] [ 2.613397 2.701371 2.225579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.09622e-12 2.87289e-10 6.143003e-11 ] [ 4.467191e-11 2.12103e-10 2.019138e-10 ] [ 1.9155e-10 4.332474e-11 1.113336e-10 ] [ 2.832667e-10 2.287938e-10 2.396185e-11 ] [ 2.613397e-10 2.701371e-10 2.225579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9402183 9.2270379 -17.1766557 ] [ 2.4334512 -9.8200355 16.9284129 ] [ 0.1332761 0.239512 0.3606415 ] [ 0.5595314 -0.7613165 -4.8226235 ] [ 1.8139595 1.1148021 4.7102247 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.91510226190832e-09 1.478334440261553e-08 -2.752003618607106e-08 ] [ 3.898818620497705e-09 -1.573343129352604e-08 2.712230737562913e-08 ] [ 2.135318515314029e-10 3.837405268010496e-10 5.778113797902433e-10 ] [ 8.964681276834932e-10 -1.219763497329283e-09 -7.726694622620669e-09 ] [ 2.906283501978058e-09 1.786109861438744e-09 7.546611893054694e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 1.9219846007650503 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.079358792883386e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.236125 3.0364086 0.2165237 ] [ 0.3856841 1.9319138 2.2873034 ] [ 2.0488772 0.5295285 1.3526491 ] [ 2.4950081 2.4197936 -0.00173 ] [ 2.6835509 2.498832 2.3572257 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.36125e-11 3.0364086e-10 2.165237e-11 ] [ 3.856841e-11 1.9319138e-10 2.2873034e-10 ] [ 2.0488772e-10 5.295285e-11 1.3526491e-10 ] [ 2.4950081e-10 2.4197936e-10 -1.73e-13 ] [ 2.6835509e-10 2.498832e-10 2.3572257e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.6e-06 7e-06 1.38e-05 ] [ 1.42e-05 -3.9e-06 -1.3e-05 ] [ 3.8e-06 1.05e-05 2.5e-06 ] [ -4.8e-06 -1.49e-05 2e-07 ] [ -1.87e-05 1.3e-06 -3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.972189076479999e-15 1.12152363456e-14 2.211003736704e-14 ] [ 2.275090801536e-14 -6.24848882112e-15 -2.08282960704e-14 ] [ 6.08827115904e-15 1.68228545184e-14 4.005441552e-15 ] [ -7.69044777984e-15 -2.387243164992e-14 3.2043532416e-16 ] [ -2.996070280896e-14 2.08282960704e-15 -5.6076181728e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.092110399234951 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.158460232186793e-19 } }