{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3450896 -13.1373493 -5.4226342 ] [ 0.0303124 0.2541535 -0.7481445 ] [ -5.895757 0.2008901 -4.9206077 ] [ -4.143931 -1.3873473 11.3035672 ] [ -1.3386645 15.0366802 -0.5809193 ] [ 3.43982 3.3037817 -4.4150347 ] [ 9.2533096 -4.2708089 4.7837733 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.155071110001224e-09 -2.104835390774324e-08 -8.688017738390511e-09 ] [ 4.856581860033792e-11 4.071987957944928e-10 -1.198659626880106e-09 ] [ -9.446044027317946e-09 3.218614215701741e-10 -7.88368261706846e-09 ] [ -6.639309366408366e-09 -2.222775408990004e-09 1.811031109948172e-08 ] [ -2.144776964994922e-09 2.409141747088627e-08 -9.307353210315015e-10 ] [ 5.511199183760256e-09 5.29324179996688e-09 -7.073665376360742e-09 ] [ 1.48254363061442e-08 -6.842590171484565e-09 7.664449740467265e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.6832233 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.298997639645825e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.2966676 0.559958 2.8731394 ] [ 2.9752732 2.8807915 0.4904423 ] [ 1.1943402 2.4769154 2.0357918 ] [ 2.9493535 2.7963032 5.3422975 ] [ 2.1717414 4.1357535 3.5192703 ] [ 4.3328324 3.5265995 2.3511378 ] [ 4.2487447 1.5518119 3.7656745 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2966676e-10 5.59958e-11 2.8731394e-10 ] [ 2.9752732e-10 2.8807915e-10 4.904423e-11 ] [ 1.1943402e-10 2.4769154e-10 2.0357918e-10 ] [ 2.9493535e-10 2.7963032e-10 5.3422975e-10 ] [ 2.1717414e-10 4.1357535e-10 3.5192703e-10 ] [ 4.3328324e-10 3.5265995e-10 2.3511378e-10 ] [ 4.2487447e-10 1.5518119e-10 3.7656745e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.9e-06 -5.1e-06 -3.3e-06 ] [ -2.11e-05 -6.2e-06 8.7e-06 ] [ 2.7e-06 9e-07 -2.23e-05 ] [ -8e-06 8.1e-06 3.6e-06 ] [ -2.9e-06 7.2e-06 1.05e-05 ] [ 1.41e-05 4e-06 1.4e-06 ] [ 2.01e-05 -8.9e-06 1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.850665441919999e-15 -8.17110076608e-15 -5.28718284864e-15 ] [ -3.380592669888e-14 -9.93349504896e-15 1.393893660096e-14 ] [ 4.32587687616e-15 1.44195895872e-15 -3.572853864384e-14 ] [ -1.28174129664e-14 1.297763062848e-14 5.76783583488e-15 ] [ -4.646312200320001e-15 1.153567166976e-14 1.68228545184e-14 ] [ 2.259069035328e-14 6.4087064832e-15 2.24304726912e-15 ] [ 3.220375007808e-14 -1.425937192512e-14 2.08282960704e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.906007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.907552606248115e-18 } }