{ "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" [ [ 0.489786 0.6379758 2.385139 ] [ 2.264964 0.0865491 0.9234604 ] [ 2.944507 2.806058 0.1090737 ] [ 1.576252 2.005156 0.0788695 ] [ 2.792909 2.291732 2.895835 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.89786e-11 6.379758e-11 2.385139e-10 ] [ 2.264964e-10 8.654910000000001e-12 9.234604e-11 ] [ 2.944507e-10 2.806058e-10 1.090737e-11 ] [ 1.576252e-10 2.005156e-10 7.88695e-12 ] [ 2.792909e-10 2.291732e-10 2.895835e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4567599 0.7933838 1.5436767 ] [ 2.6840298 -3.1816369 -0.521572 ] [ 33.3888807 19.2851407 1.9906105 ] [ -34.6462613 -17.1090521 -2.4482457 ] [ 0.0301108 0.2121646 -0.5644694 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.333986653898946e-09 1.271140975681463e-09 2.473242718813695e-09 ] [ 4.3002897950905e-09 -5.097544257054588e-09 -8.356504644638976e-10 ] [ 5.349488405222035e-08 3.089820155837854e-08 3.189309604218999e-09 ] [ -5.550942985298781e-08 -2.741172327866914e-08 -3.922522022514131e-09 ] [ 4.824281979358464e-11 3.399251618813837e-10 -9.043796758370035e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -0.33038813 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.293401376758312e-20 } "relaxed-configuration-positions" { "source-value" [ [ 1.1616588 0.9490297 2.5821294 ] [ 1.85352 -0.4590302 0.6574182 ] [ 2.8778148 3.0832793 0.6645184 ] [ 1.6867434 1.8059218 -0.346572 ] [ 2.488681 2.4482703 2.8348836 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1616588e-10 9.490297e-11 2.5821294e-10 ] [ 1.85352e-10 -4.590302e-11 6.574182e-11 ] [ 2.8778148e-10 3.0832793e-10 6.645184e-11 ] [ 1.6867434e-10 1.8059218e-10 -3.46572e-11 ] [ 2.488681e-10 2.4482703e-10 2.8348836e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.39e-05 -1.82e-05 -8.4e-05 ] [ -6.6e-06 -1.66e-05 -7.2e-06 ] [ -1.18e-05 -1.3e-06 1.78e-05 ] [ -1.22e-05 -2.65e-05 4.72e-05 ] [ 5.46e-05 6.27e-05 2.62e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.829202123712e-14 -2.915961449856e-14 -1.345828361472e-13 ] [ -1.057436569728e-14 -2.659613190528e-14 -1.153567166976e-14 ] [ -1.890568412544e-14 -2.08282960704e-15 2.851874385024e-14 ] [ -1.954655477376e-14 -4.24576804512e-14 7.562273650176e-14 ] [ 8.747884349568e-14 1.0045647412416e-13 4.197702746496e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.295169 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.809685569978491e-18 } }