{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7586772 0.2275366 -4.1706415 ] [ 1.404425 0.052266 3.5089216 ] [ -2.7328436 1.9580111 -2.3411524 ] [ -0.2225348 0.648267 -0.8387719 ] [ 0.2697101 -1.0551755 -1.0469005 ] [ 1.0988622 -0.5022005 2.5978562 ] [ 0.9410583 -1.3287048 2.2906886 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.215534882588545e-09 3.645538238998044e-10 -6.682104360090711e-09 ] [ 2.25013691920545e-09 8.373936395264398e-11 5.621912198057894e-09 ] [ -4.378498160296441e-09 3.137079633532637e-09 -3.750939671913021e-09 ] [ -3.565400568118632e-10 1.038638239993278e-09 -1.343860739435785e-09 ] [ 4.321232201738033e-10 -1.690577530869267e-09 -1.677319519222917e-09 ] [ 1.760571340825834e-09 -8.04613906683117e-10 4.16222450213203e-09 ] [ 1.507741619491762e-09 -2.128819784043643e-09 3.670087750690172e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.523355 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.127986319828707e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4575967 1.8573529 1.4467815 ] [ 2.0398067 1.7015273 3.8186193 ] [ 2.479653 3.8482137 2.3238105 ] [ 3.4800061 0.628191 1.8667116 ] [ 4.7140845 2.762995 2.1937818 ] [ 4.4702688 1.1159567 4.0763034 ] [ 3.7446693 3.4515796 4.4078639 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4575967e-10 1.8573529e-10 1.4467815e-10 ] [ 2.0398067e-10 1.7015273e-10 3.8186193e-10 ] [ 2.479653e-10 3.8482137e-10 2.3238105e-10 ] [ 3.4800061e-10 6.28191e-11 1.8667116e-10 ] [ 4.714084500000001e-10 2.762995e-10 2.1937818e-10 ] [ 4.470268800000001e-10 1.1159567e-10 4.0763034e-10 ] [ 3.7446693e-10 3.4515796e-10 4.4078639e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.55e-05 -2.96e-05 5.86e-05 ] [ -2.44e-05 2.7e-06 -8.6e-06 ] [ 3.1e-05 1.9e-05 2.4e-06 ] [ 1.53e-05 2.41e-05 -4.44e-05 ] [ 2.77e-05 -4.8e-06 -1.13e-05 ] [ -3.1e-06 -4.4e-06 2.5e-05 ] [ -3.09e-05 -6.9e-06 -2.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.4833737827e-14 -4.74244283664e-14 9.38875507524e-14 ] [ -3.909310986959999e-14 4.3258769118e-15 -1.37787190524e-14 ] [ 4.966747565399999e-14 3.0441356046e-14 3.845223921599999e-15 ] [ 2.45133025002e-14 3.86124568794e-14 -7.11366425496e-14 ] [ 4.438029276179999e-14 -7.690447843199998e-15 -1.81045959642e-14 ] [ -4.9667475654e-15 -7.0495771896e-15 4.005441585e-14 ] [ -4.950725799059999e-14 -1.10550187746e-14 -3.476723295779999e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.602861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.461159912174987e-18 } }