{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.4618599 -15.7178381 -7.1836827 ] [ -11.0249562 4.5380921 6.7091767 ] [ -39.3668548 8.6790361 18.8834164 ] [ -15.3040557 -34.9538392 -13.875326 ] [ 8.1802073 10.1392842 15.4047269 ] [ 44.1631648 28.6312092 -30.3245759 ] [ 19.8143545 -1.3159442 10.3862646 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.035304094396158e-08 -2.518275294081495e-08 -1.150952856801003e-08 ] [ -1.766392721451343e-08 7.270825125559991e-09 1.074928614211723e-08 ] [ -6.307265491463073e-08 1.390534884506249e-08 3.02545685261724e-08 ] [ -2.451980044797451e-08 -5.600222443483324e-08 -2.223072310633268e-08 ] [ 1.310613699733623e-08 1.624492423072538e-08 2.468109349233125e-08 ] [ 7.075719072605127e-08 4.587225438340583e-08 -4.858532694293951e-08 ] [ 3.174609579769275e-08 -2.108375048887822e-09 1.664063045666135e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.9692766 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.563835490402964e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.1501149 0.5829992 3.6871259 ] [ 1.3770194 3.0692562 4.353703 ] [ 1.6004274 4.7533593 2.3939692 ] [ 3.1960264 2.5625067 2.1999515 ] [ 3.8346188 2.2359776 4.9730208 ] [ 4.1299627 5.1865171 2.0255431 ] [ 5.4863153 3.4353586 3.3730084 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1501149e-10 5.829992000000001e-11 3.6871259e-10 ] [ 1.3770194e-10 3.0692562e-10 4.353703000000001e-10 ] [ 1.6004274e-10 4.7533593e-10 2.3939692e-10 ] [ 3.1960264e-10 2.5625067e-10 2.1999515e-10 ] [ 3.8346188e-10 2.2359776e-10 4.9730208e-10 ] [ 4.1299627e-10 5.1865171e-10 2.0255431e-10 ] [ 5.486315300000001e-10 3.4353586e-10 3.3730084e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.7e-06 5.93e-05 -1.09e-05 ] [ 1.57e-05 5.7e-06 7.5e-06 ] [ 1.4e-06 -2.26e-05 -2.57e-05 ] [ -1.48e-05 -2.53e-05 5.97e-05 ] [ -5.2e-06 -4.81e-05 -3.73e-05 ] [ -3.8e-06 8.7e-06 2e-07 ] [ 1e-06 2.24e-05 6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.1324068138e-15 9.500907439619998e-14 -1.74637253106e-14 ] [ 2.515417315379999e-14 9.1324068138e-15 1.2016324755e-14 ] [ 2.2430472876e-15 -3.62091919284e-14 -4.11759394938e-14 ] [ -2.37122141832e-14 -4.053506884019999e-14 9.56499450498e-14 ] [ -8.331318496799998e-15 -7.706469609539999e-14 -5.97611884482e-14 ] [ -6.088271209199999e-15 1.39389367158e-14 3.204353268e-16 ] [ 1.602176634e-15 3.588875660159999e-14 1.0414148121e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.502375 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.925713270250575e-18 } }