{ "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" [ [ -1.1752667 -1.0219121 0.466422 ] [ -0.4519135 -0.2451548 0.6843405 ] [ 1.9471562 1.2235232 0.2081753 ] [ 0.4094949 -0.3068345 -0.416631 ] [ 0.9694651 -0.2971092 -1.3748965 ] [ 0.3297725 1.9474789 -0.9861067 ] [ -2.0287085 -1.2999916 1.4186965 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.882984845458288e-09 -1.637283688621871e-09 7.47290429983548e-10 ] [ -7.240452502891589e-10 -3.927812922729431e-10 1.096434358799877e-09 ] [ 3.119688166388231e-09 1.960300282196909e-09 3.335336014359401e-10 ] [ 6.560831605221665e-10 -4.91603066405073e-10 -6.675164532000539e-10 ] [ 1.553254330698473e-09 -4.760214179864328e-10 -2.202827046468381e-09 ] [ 5.28353794035765e-10 3.120205188788022e-09 -1.579917113370847e-09 ] [ -3.250349355897189e-09 -2.082816165916274e-09 2.273002383037581e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.153385064916392 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.588057611101362e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2927373 2.3859621 2.3123292 ] [ 2.1768428 1.2324225 4.7410828 ] [ 2.5809148 4.4375775 2.0536059 ] [ 2.1627718 3.7122737 4.3712916 ] [ 3.6012984 1.4342222 2.6875829 ] [ 4.5098538 2.8337764 4.6803618 ] [ 4.710649 3.6132017 2.3808668 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2927373e-10 2.3859621e-10 2.3123292e-10 ] [ 2.1768428e-10 1.2324225e-10 4.7410828e-10 ] [ 2.5809148e-10 4.4375775e-10 2.0536059e-10 ] [ 2.1627718e-10 3.7122737e-10 4.371291600000001e-10 ] [ 3.6012984e-10 1.4342222e-10 2.6875829e-10 ] [ 4.5098538e-10 2.8337764e-10 4.6803618e-10 ] [ 4.710649e-10 3.6132017e-10 2.3808668e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.42e-05 -1.9e-06 5e-07 ] [ -2.05e-05 -7.19e-05 2.32e-05 ] [ 1.49e-05 5.93e-05 -7.45e-05 ] [ -6.88e-05 2.44e-05 8.32e-05 ] [ -1.29e-05 2.7e-06 -3.06e-05 ] [ 5e-05 3.88e-05 9.9e-06 ] [ -6.9e-06 -5.15e-05 -1.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.08162072228e-14 -3.0441356046e-15 8.010883169999999e-16 ] [ -3.2844620997e-14 -1.151964999846e-13 3.71704979088e-14 ] [ 2.38724318466e-14 9.500907439619998e-14 -1.19362159233e-13 ] [ -1.102297524192e-13 3.909310986959999e-14 1.333010959488e-13 ] [ -2.06680785786e-14 4.3258769118e-15 -4.90266050004e-14 ] [ 8.010883169999999e-14 6.21644533992e-14 1.58615486766e-14 ] [ -1.10550187746e-14 -8.251209665099998e-14 -1.89056842812e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.04793206491639 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.891597504642841e-18 } }