{ "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" [ [ 0.2973138 0.0992835 1.535424 ] [ 0.4571454 2.256303 0.112609 ] [ 1.021874 2.429871 2.604005 ] [ 1.808416 0.4621254 0.960442 ] [ 2.7331 1.011411 2.670813 ] [ 2.623171 2.959224 2.230467 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.973138000000001e-11 9.92835e-12 1.535424e-10 ] [ 4.571454e-11 2.256303e-10 1.12609e-11 ] [ 1.021874e-10 2.429871e-10 2.604005e-10 ] [ 1.808416e-10 4.621254e-11 9.60442e-11 ] [ 2.7331e-10 1.011411e-10 2.670813e-10 ] [ 2.623171e-10 2.959224e-10 2.230467e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -40.748867 -11.8331293 9.5487354 ] [ -1.524347 1.6651431 -1.5040656 ] [ -29.7985568 -3.8523493 5.7950606 ] [ 27.0786798 -4.6476881 -24.7386358 ] [ 16.8405247 -8.2457813 13.8231561 ] [ 28.1525662 26.9138048 -2.9242507 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.528688203148864e-08 -1.895876311536347e-08 1.529876061608534e-08 ] [ -2.442273125386617e-09 2.667853345106437e-09 -2.409778740469524e-09 ] [ -4.774255103854086e-08 -6.172143983615246e-09 9.28471060943922e-09 ] [ 4.338482769768922e-08 -7.446417214590372e-09 -3.96356639092459e-08 ] [ 2.698149495634494e-08 -1.321119801908983e-08 2.214713752908891e-08 ] [ 4.51053833811643e-08 4.312066882733483e-08 -4.685166104898034e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 10.160195 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.627842689176906e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.3473276 0.2867832 1.8715176 ] [ 0.3457293 1.7714451 -0.1710178 ] [ 0.9046422 2.5012069 2.2228242 ] [ 1.8778879 -0.0587451 0.6982303 ] [ 3.235973 1.2736691 2.1622439 ] [ 2.9241154 3.4438587 3.3299618 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.473276e-11 2.867832e-11 1.8715176e-10 ] [ 3.457293e-11 1.7714451e-10 -1.710178e-11 ] [ 9.046422e-11 2.5012069e-10 2.2228242e-10 ] [ 1.8778879e-10 -5.874510000000001e-12 6.982303e-11 ] [ 3.235973e-10 1.2736691e-10 2.1622439e-10 ] [ 2.9241154e-10 3.4438587e-10 3.3299618e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.5e-06 1.87e-05 -3e-05 ] [ -2.76e-05 -6.5e-06 1.04e-05 ] [ 1.29e-05 9.8e-06 1.77e-05 ] [ 9.7e-06 -2.3e-05 2.2e-06 ] [ 1.8e-05 3.95e-05 2.49e-05 ] [ -9.4e-06 -3.86e-05 -2.52e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.6076181728e-15 2.996070280896e-14 -4.8065298624e-14 ] [ -4.422007473408001e-14 -1.04141480352e-14 1.666263685632e-14 ] [ 2.066807840832e-14 1.570133088384e-14 2.835852618816e-14 ] [ 1.554111322176e-14 -3.68500622784e-14 3.52478856576e-15 ] [ 2.88391791744e-14 6.32859765216e-14 3.989419785791999e-14 ] [ -1.506046023552e-14 -6.184401756288e-14 -4.037485084416e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.333823 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.136313947648532e-18 } }