{ "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" [ [ 2.845445 0.9973996 1.833851 ] [ 2.258239 2.496991 3.58031 ] [ 1.78294 4.270758 1.69672 ] [ 2.678494 4.477221 3.72616 ] [ 4.64173 2.41566 3.489752 ] [ 3.528967 5.47506 1.628646 ] [ 3.443776 3.131475 0.8054665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.845445e-10 9.973996000000001e-11 1.833851e-10 ] [ 2.258239e-10 2.496991e-10 3.58031e-10 ] [ 1.78294e-10 4.270758e-10 1.69672e-10 ] [ 2.678494e-10 4.477221e-10 3.72616e-10 ] [ 4.64173e-10 2.41566e-10 3.489752e-10 ] [ 3.528967e-10 5.475060000000001e-10 1.628646e-10 ] [ 3.443776e-10 3.131475e-10 8.054665e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.621582 1.2682048 0.3513462 ] [ -1.0774276 -4.6425995 -0.3027322 ] [ -3.1932199 -1.0765779 3.53e-05 ] [ 1.9123825 4.6170547 1.4374882 ] [ -1.3491775 0.1641899 -0.7338684 ] [ 1.7159633 0.9795067 0.1246498 ] [ 1.3698974 -1.3097786 -0.8769188 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.958841565149878e-10 2.031888097686643e-09 5.629186720846908e-10 ] [ -1.726229325546698e-09 -7.438264439920082e-09 -4.850304571994147e-10 ] [ -5.116102311003815e-09 -1.724867956060788e-09 5.655683518019999e-14 ] [ 3.063974556770505e-09 7.397337158239879e-09 2.303110005690718e-09 ] [ -2.161620665618535e-09 2.630612213187966e-10 -1.175786802910966e-09 ] [ 2.749276304061532e-09 1.569342747586448e-09 1.997109969927732e-10 ] [ 2.194817605257352e-09 -2.098496668633233e-09 -1.404978811275319e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.74056 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.002568734007504e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0007723 1.3596498 2.2864558 ] [ 1.518732 2.7927937 3.4448504 ] [ 1.4573143 3.8441732 1.3275305 ] [ 3.3757578 4.1856777 4.0647435 ] [ 4.8334113 2.7342357 2.8982172 ] [ 3.2899427 5.218776 1.9392872 ] [ 3.7036607 3.1292584 0.7998209 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0007723e-10 1.3596498e-10 2.2864558e-10 ] [ 1.518732e-10 2.7927937e-10 3.4448504e-10 ] [ 1.4573143e-10 3.8441732e-10 1.3275305e-10 ] [ 3.3757578e-10 4.1856777e-10 4.0647435e-10 ] [ 4.8334113e-10 2.7342357e-10 2.8982172e-10 ] [ 3.2899427e-10 5.218776e-10 1.9392872e-10 ] [ 3.7036607e-10 3.1292584e-10 7.998209e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.8e-06 7e-06 1.25e-05 ] [ 2.39e-05 -7.3e-06 -1.21e-05 ] [ 1.73e-05 1.82e-05 1.16e-05 ] [ -1.41e-05 -1.37e-05 -2.96e-05 ] [ -1.99e-05 1.4e-06 -4.1e-06 ] [ -2.6e-06 4.2e-06 1.5e-06 ] [ -1.45e-05 -9.8e-06 2.02e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.57013310132e-14 1.1215236438e-14 2.0027207925e-14 ] [ 3.82920215526e-14 -1.16958894282e-14 -1.93863372714e-14 ] [ 2.77176557682e-14 2.915961473879999e-14 1.85852489544e-14 ] [ -2.25906905394e-14 -2.19498198858e-14 -4.74244283664e-14 ] [ -3.18833150166e-14 2.2430472876e-15 -6.568924199399999e-15 ] [ -4.165659248399999e-15 6.729141862799999e-15 2.403264951e-15 ] [ -2.3231561193e-14 -1.57013310132e-14 3.236396800679999e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.535655 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.450392323888527e-18 } }