{ "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" [ [ 2.051273 2.837998 1.545633 ] [ 2.498541 2.310424 3.735737 ] [ 1.453493 4.519355 3.131974 ] [ 4.173987 2.427158 6.121254 ] [ 4.520065 2.264664 3.31985 ] [ 3.501394 4.313188 2.351729 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.051273e-10 2.837998e-10 1.545633e-10 ] [ 2.498541e-10 2.310424e-10 3.735737e-10 ] [ 1.453493e-10 4.519355e-10 3.131974e-10 ] [ 4.173987e-10 2.427158e-10 6.121254e-10 ] [ 4.520065e-10 2.264664e-10 3.31985e-10 ] [ 3.501394e-10 4.313188e-10 2.351729e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8743893 -0.318235 -1.5802472 ] [ -4.311221 -0.0070593 2.1232965 ] [ -0.9845576 -0.610429 0.4190738 ] [ -0.16227 -0.0304405 -0.8859995 ] [ 4.7512216 0.0700195 0.0549709 ] [ 2.5812162 0.8961443 -0.1310944 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.003102714737678e-09 -5.09868676920288e-10 -2.531835118924662e-09 ] [ -6.907337493301997e-09 -1.131024541921344e-11 3.401896011326467e-09 ] [ -1.577435168550958e-09 -9.780150724583231e-10 6.71430244749815e-10 ] [ -2.59985200257216e-10 -4.87710574254624e-11 -1.41952768494049e-09 ] [ 7.61229616775997e-09 1.121836059001056e-10 8.807309080433472e-11 ] [ 4.135564248870217e-09 1.435781446323181e-09 -2.100363827978035e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -4.387170279081939 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.029021652613695e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.6227363 2.8401664 1.6584343 ] [ 2.6086401 2.4382028 3.7514306 ] [ 1.567533 4.5265905 3.200522 ] [ 3.8201186 2.1484747 5.6728994 ] [ 4.9681557 2.7062545 3.7693858 ] [ 3.6115692 4.013098 2.1535048 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6227363e-10 2.8401664e-10 1.6584343e-10 ] [ 2.6086401e-10 2.4382028e-10 3.7514306e-10 ] [ 1.567533e-10 4.5265905e-10 3.200522e-10 ] [ 3.8201186e-10 2.1484747e-10 5.672899400000001e-10 ] [ 4.9681557e-10 2.7062545e-10 3.7693858e-10 ] [ 3.6115692e-10 4.013098e-10 2.1535048e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.14e-05 -1.6e-06 -2.51e-05 ] [ 2.12e-05 6.1e-06 -6.9e-06 ] [ 4.6e-06 4.8e-06 7.9e-06 ] [ -1.81e-05 -4.1e-06 2.84e-05 ] [ 1.2e-05 1.89e-05 -3.08e-05 ] [ 1.6e-06 -2.41e-05 2.65e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.428657968511999e-14 -2.56348259328e-15 -4.021463318208e-14 ] [ 3.396614436096001e-14 9.77327738688e-15 -1.105501868352e-14 ] [ 7.370012455680001e-15 7.69044777984e-15 1.265719530432e-14 ] [ -2.899939683648e-14 -6.568924145279999e-15 4.550181603071999e-14 ] [ 1.92261194496e-14 3.028113813312e-14 -4.934703992064001e-14 ] [ 2.56348259328e-15 -3.861245656128e-14 4.24576804512e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.526037279081937 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.045586435501432e-18 } }