{ "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" [ [ 0.5286717 0.5459164 0.2171681 ] [ 0.0530602 2.45185 0.0097729 ] [ 0.1982568 1.952172 2.366336 ] [ 2.940741 0.007829 0.5912968 ] [ 2.574768 0.9414562 2.330693 ] [ 2.158325 2.742494 1.504322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.286717e-11 5.459164e-11 2.171681e-11 ] [ 5.30602e-12 2.45185e-10 9.7729e-13 ] [ 1.982568e-11 1.952172e-10 2.366336e-10 ] [ 2.940741e-10 7.828999999999999e-13 5.912968e-11 ] [ 2.574768e-10 9.414562e-11 2.330693e-10 ] [ 2.158325e-10 2.742494e-10 1.504322e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7404421 -5.0532557 0.7713956 ] [ -0.6308306 4.8480302 -0.3782631 ] [ -0.526562 -0.7312275 0.3137621 ] [ -0.1759666 -1.5077716 -3.7316718 ] [ -0.1449969 -1.833094 5.4869592 ] [ -0.262086 4.2773185 -2.4621821 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.788495642476056e-09 -8.09620814146434e-09 1.235911995707988e-09 ] [ -1.010702039005237e-09 7.767400643372348e-09 -6.060442953313325e-10 ] [ -8.436453258016896e-10 -1.171555604986032e-09 5.027023011131117e-10 ] [ -2.819295725616653e-10 -2.41571640702621e-09 -5.978797314458653e-09 ] [ -2.323106432684755e-10 -2.936940350528755e-09 8.791077749523473e-09 ] [ -4.199080618389888e-10 6.853019700415324e-09 -3.944850596772248e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.397371 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.787366107958392e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.413179 0.3040153 0.160395 ] [ 0.3237261 2.6912953 0.4222231 ] [ 0.0217235 1.2610832 2.3298285 ] [ 2.7253595 0.3469565 0.5586758 ] [ 2.333911 1.304123 2.728067 ] [ 2.6359236 2.7342444 0.8203993 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.13179e-11 3.040153e-11 1.60395e-11 ] [ 3.237261e-11 2.6912953e-10 4.222231000000001e-11 ] [ 2.17235e-12 1.2610832e-10 2.3298285e-10 ] [ 2.7253595e-10 3.469565e-11 5.586758e-11 ] [ 2.333911e-10 1.304123e-10 2.728067e-10 ] [ 2.6359236e-10 2.7342444e-10 8.203993000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.25e-05 -4.1e-06 4.5e-06 ] [ -2.81e-05 -4.2e-06 -9.9e-06 ] [ 2.28e-05 2.18e-05 -2.27e-05 ] [ 1.02e-05 -1.89e-05 -1.15e-05 ] [ 6.4e-06 -1.57e-05 2.67e-05 ] [ 1.3e-06 2.11e-05 1.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.002720776e-14 -6.568924145279999e-15 7.2097947936e-15 ] [ -4.502116304448e-14 -6.72914180736e-15 -1.586154854592e-14 ] [ 3.652962695424e-14 3.492745033344e-14 -3.636940929216e-14 ] [ 1.634220153216e-14 -3.028113813312e-14 -1.84250311392e-14 ] [ 1.025393037312e-14 -2.515417294656e-14 4.277811577536e-14 ] [ 2.08282960704e-15 3.380592669888e-14 2.08282960704e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.411418 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.27026967169763e-18 } }