{ "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" [ [ 2.750115 2.05781 3.008489 ] [ 2.459373 1.512643 5.182306 ] [ 3.045421 4.403069 3.012822 ] [ 1.351279 3.64529 4.777489 ] [ 4.685264 1.369475 1.888704 ] [ 3.677702 3.202643 0.9471066 ] [ 3.576002 3.111527 4.892003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.750115e-10 2.05781e-10 3.008489e-10 ] [ 2.459373e-10 1.512643e-10 5.182306e-10 ] [ 3.045421e-10 4.403069e-10 3.012822e-10 ] [ 1.351279e-10 3.64529e-10 4.777489e-10 ] [ 4.685264e-10 1.369475e-10 1.888704e-10 ] [ 3.677702e-10 3.202643e-10 9.471066000000001e-11 ] [ 3.576002e-10 3.111527e-10 4.892003e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2569321 0.8841275 -2.8866443 ] [ -5.5790886 -9.6551726 3.1116512 ] [ 0.1371414 -0.1900156 -1.3902171 ] [ -3.4879582 0.3999182 -0.7407862 ] [ -0.3478575 -0.1570985 1.1578589 ] [ -0.154395 0.6308834 -0.3559069 ] [ 10.68909 8.0873575 1.1040443 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.013827241144551e-09 1.416528421976835e-09 -4.624914048129286e-09 ] [ -8.938685393935772e-09 -1.546929193695703e-08 4.98541484579806e-09 ] [ 2.197247466340476e-10 -3.044385544154904e-10 -2.227373353807241e-09 ] [ -5.588325128408698e-09 6.407395955513388e-10 -1.186870340429651e-09 ] [ -5.57329158461655e-10 -2.51699545936449e-10 1.855094475048942e-09 ] [ -2.4736806140643e-10 1.010786642258475e-09 -5.702257190593745e-10 ] [ 1.712581023672306e-08 1.295737521730465e-08 1.768873980360886e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.664433064916391 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.509718864146604e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6188755 2.2012265 3.0285967 ] [ 2.8768803 1.2053159 5.1843417 ] [ 3.0488007 4.4667185 3.0050144 ] [ 1.2395949 3.6441939 4.4650331 ] [ 4.328267 1.1616575 1.9334724 ] [ 3.8893058 3.2843093 1.1975967 ] [ 3.5434318 3.3390354 4.8948646 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6188755e-10 2.2012265e-10 3.0285967e-10 ] [ 2.8768803e-10 1.2053159e-10 5.1843417e-10 ] [ 3.0488007e-10 4.4667185e-10 3.0050144e-10 ] [ 1.2395949e-10 3.6441939e-10 4.465033100000001e-10 ] [ 4.328267e-10 1.1616575e-10 1.9334724e-10 ] [ 3.8893058e-10 3.2843093e-10 1.1975967e-10 ] [ 3.5434318e-10 3.339035400000001e-10 4.8948646e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.1e-05 0.0002195 0.0001113 ] [ -9.72e-05 8.2e-05 -3.07e-05 ] [ -3e-06 -0.000157 0.0001623 ] [ 0.0002395 -8.93e-05 2.75e-05 ] [ 0.0001085 -2.15e-05 3.8e-06 ] [ -7.86e-05 -3e-05 -2.77e-05 ] [ -0.0002103 -3.9e-06 -0.0002465 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.568924199399999e-14 3.516777711629999e-13 1.783222593642e-13 ] [ -1.557315688248e-13 1.31378483988e-13 -4.91868226638e-14 ] [ -4.806529901999999e-15 -2.51541731538e-13 2.600332676982e-13 ] [ 3.837213038429999e-13 -1.430743734162e-13 4.4059857435e-14 ] [ 1.73836164789e-13 -3.4446797631e-14 6.088271209199999e-15 ] [ -1.259310834324e-13 -4.806529901999999e-14 -4.438029276179999e-14 ] [ -3.369377461302e-13 -6.248488872599999e-15 -3.94936540281e-13 ] ] } "relaxed-potential-energy" { "source-value" -17.812185064916388 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.853826671149281e-18 } }