{ "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" [ [ 2.019678 3.528357 2.55152 ] [ 4.681874 1.030316 1.978031 ] [ 3.876194 2.698932 0.9098523 ] [ 3.736168 1.84025 3.911189 ] [ 5.498325 3.105138 2.775129 ] [ 3.884183 4.867643 2.227305 ] [ 3.327521 4.019973 4.190113 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.019678e-10 3.528357e-10 2.55152e-10 ] [ 4.681874e-10 1.030316e-10 1.978031e-10 ] [ 3.876194e-10 2.698932e-10 9.098523e-11 ] [ 3.736168e-10 1.84025e-10 3.911189e-10 ] [ 5.498325e-10 3.105138e-10 2.775129000000001e-10 ] [ 3.884183e-10 4.867643e-10 2.227305e-10 ] [ 3.327521e-10 4.019973e-10 4.190113e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.3298536 -2.1779444 -3.0803945 ] [ 1.8709211 -5.9201014 -0.4137662 ] [ -2.60091 2.0908739 -4.6258297 ] [ -1.6173835 -4.0530161 2.8465613 ] [ 5.646037 1.4483197 0.919201 ] [ 1.8299791 5.2253219 -3.7584618 ] [ 0.2012099 3.3865464 8.11269 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.539366830206714e-09 -3.489451599082284e-09 -4.935336050740906e-09 ] [ 2.997546045781418e-09 -9.48504805584535e-09 -6.629265321172569e-10 ] [ -4.167117194804928e-09 3.349949279620917e-09 -7.411396197142277e-09 ] [ -2.591334030567677e-09 -6.493647639145995e-09 4.560693964534055e-09 ] [ 9.045948481571768e-09 2.32046396278407e-09 1.472722352015981e-09 ] [ 2.931949730572626e-09 8.371888584334236e-09 -6.021719626129886e-09 ] [ 3.223737976535059e-10 5.425845467334405e-09 1.299796224979795e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -20.20174 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.236675552748019e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8684642 3.5845645 2.6212609 ] [ 5.1254254 0.9021064 2.0234259 ] [ 3.6335788 2.6279284 0.995561 ] [ 3.3248784 1.6775249 3.5782047 ] [ 5.541439 3.2010563 2.9191569 ] [ 3.9070331 4.9857577 2.0151372 ] [ 3.6231241 4.1116708 4.3903926 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8684642e-10 3.5845645e-10 2.6212609e-10 ] [ 5.1254254e-10 9.021064e-11 2.0234259e-10 ] [ 3.6335788e-10 2.6279284e-10 9.95561e-11 ] [ 3.3248784e-10 1.6775249e-10 3.5782047e-10 ] [ 5.541439e-10 3.2010563e-10 2.9191569e-10 ] [ 3.9070331e-10 4.9857577e-10 2.0151372e-10 ] [ 3.6231241e-10 4.1116708e-10 4.3903926e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.27e-05 4.6e-06 3.3e-06 ] [ 8e-07 -3.2e-06 5e-06 ] [ -6.5e-06 -1.92e-05 -6.72e-05 ] [ -1.14e-05 -5.93e-05 2.65e-05 ] [ 3.43e-05 9.5e-06 5.2e-06 ] [ 1.76e-05 4.67e-05 -2.83e-05 ] [ -2.1e-06 2.1e-05 5.54e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.239117550016001e-14 7.370012455680001e-15 5.28718284864e-15 ] [ 1.28174129664e-15 -5.126965186560001e-15 8.010883104e-15 ] [ -1.04141480352e-14 -3.076179111936e-14 -1.0766626891776e-13 ] [ -1.826481347712e-14 -9.500907361344e-14 4.24576804512e-14 ] [ 5.495465809344e-14 1.52206778976e-14 8.33131842816e-15 ] [ 2.819830852608e-14 7.482164819136e-14 -4.534159836864e-14 ] [ -3.36457090368e-15 3.36457090368e-14 8.876058479231999e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.005399 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.84608890507757e-18 } }