{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.718051 2.8648 0.868268 ] [ 1.578738 2.123399 2.800363 ] [ 1.502934 5.103369 1.611601 ] [ 2.373634 3.880614 3.837999 ] [ 3.381701 1.593797 3.943141 ] [ 3.548939 3.24359 2.048233 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.718051e-10 2.8648e-10 8.682680000000001e-11 ] [ 1.578738e-10 2.123399e-10 2.800363e-10 ] [ 1.502934e-10 5.103369e-10 1.611601e-10 ] [ 2.373634e-10 3.880614e-10 3.837999e-10 ] [ 3.381701e-10 1.593797e-10 3.943141e-10 ] [ 3.548939e-10 3.24359e-10 2.048233e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9922514 1.3874573 -4.2985961 ] [ -3.2545784 -3.0084774 2.2611919 ] [ 0.5160773 -1.0621501 0.6410607 ] [ -0.2387165 2.3225909 1.4366753 ] [ 1.2128299 0.0121394 0.278203 ] [ 2.7566392 0.3484398 -0.3185347 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.589761995036069e-09 2.222951648418291e-09 -6.88711017368206e-09 ] [ -5.214409423040671e-09 -4.82011215448517e-09 3.622828797322332e-09 ] [ 8.268469845855878e-10 -1.701752058000382e-09 1.027092466053683e-09 ] [ -3.824659952992032e-10 3.72120083966283e-09 2.301807577340826e-09 ] [ 1.943167710787202e-09 1.944946287053952e-11 4.457303424364224e-10 ] [ 4.416622878220816e-09 5.582621013162279e-10 -5.103488492535418e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.73960993049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.19586884314368e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1768375 2.3712969 1.0366448 ] [ 0.8785443 2.5065663 3.0148394 ] [ 1.5688707 4.4879202 1.9126559 ] [ 2.5244943 3.898559 3.9998905 ] [ 3.1324623 1.7819369 3.1238799 ] [ 3.8227878 3.7632897 2.0216946 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1768375e-10 2.3712969e-10 1.0366448e-10 ] [ 8.785443e-11 2.5065663e-10 3.0148394e-10 ] [ 1.5688707e-10 4.4879202e-10 1.9126559e-10 ] [ 2.5244943e-10 3.898559e-10 3.9998905e-10 ] [ 3.1324623e-10 1.7819369e-10 3.1238799e-10 ] [ 3.8227878e-10 3.7632897e-10 2.0216946e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-06 -4.6e-06 -9.3e-06 ] [ 1.23e-05 5.1e-06 -2e-07 ] [ -3.5e-06 3.5e-06 -2.9e-06 ] [ 1.5e-06 6.9e-06 7.7e-06 ] [ -6e-07 -7.8e-06 -1.1e-06 ] [ -1.14e-05 -3.1e-06 5.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.56348259328e-15 -7.370012455680001e-15 -1.490024257344e-14 ] [ 1.970677243584e-14 8.17110076608e-15 -3.2043532416e-16 ] [ -5.6076181728e-15 5.6076181728e-15 -4.646312200320001e-15 ] [ 2.4032649312e-15 1.105501868352e-14 1.233675998016e-14 ] [ -9.6130597248e-16 -1.249697764224e-14 -1.76239428288e-15 ] [ -1.826481347712e-14 -4.96674752448e-15 9.292624400640001e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.32264193049068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.333434232432195e-18 } }