{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1645361 -3.4810673 -1.9668073 ] [ 0.0240159 0.9337168 1.8619519 ] [ 0.9606246 2.6304955 -2.0585687 ] [ 0.2755396 -0.3753649 1.2400854 ] [ 1.5656749 -0.2316377 3.1988492 ] [ -0.1483761 1.1789607 -1.643767 ] [ -0.5129427 -0.6551031 -0.6317436 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.467969134297611e-09 -5.57728464349138e-09 -3.151172673678772e-09 ] [ 3.847771350747071e-11 1.49597922740819e-09 2.98317580323414e-09 ] [ 1.539090275485352e-09 4.214518391219606e-09 -3.298190643450649e-09 ] [ 4.414631052245837e-10 -6.014008670489299e-10 1.986835835675416e-09 ] [ 2.508487720553378e-09 -3.711245074358842e-10 5.125121401704783e-09 ] [ -2.377247185054829e-10 1.888903270382003e-09 -2.633605057442553e-09 ] [ -8.218248017500281e-10 -1.049590871033605e-09 -1.012164826260027e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.1169021589289265 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.800357630756974e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.7952505 1.7295101 2.0688303 ] [ 1.772822 2.77081 3.9371381 ] [ 2.5329998 3.6633233 0.7227862 ] [ 2.7191454 4.7265744 2.883016 ] [ 4.8887508 2.5056712 2.7794165 ] [ 4.6300939 4.4407576 1.4344958 ] [ 3.8698905 3.5481664 4.6490181 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7952505e-10 1.7295101e-10 2.0688303e-10 ] [ 1.772822e-10 2.77081e-10 3.9371381e-10 ] [ 2.5329998e-10 3.6633233e-10 7.227862000000001e-11 ] [ 2.7191454e-10 4.7265744e-10 2.883016e-10 ] [ 4.888750800000001e-10 2.5056712e-10 2.7794165e-10 ] [ 4.630093900000001e-10 4.440757600000001e-10 1.4344958e-10 ] [ 3.8698905e-10 3.5481664e-10 4.6490181e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-06 -8.4e-06 -2.26e-05 ] [ 7.4e-06 -2e-07 3.11e-05 ] [ -1.61e-05 1.67e-05 -2.03e-05 ] [ -8.1e-06 -3.3e-06 -2.43e-05 ] [ 8.3e-06 -2.1e-06 2.32e-05 ] [ 4.6e-06 -4e-06 1.88e-05 ] [ 7.9e-06 1.2e-06 -5.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.4087064832e-15 -1.345828361472e-14 -3.620919163008e-14 ] [ 1.185610699392e-14 -3.2043532416e-16 4.982769290688e-14 ] [ -2.579504359488e-14 2.675634956736e-14 -3.252418540224e-14 ] [ -1.297763062848e-14 -5.28718284864e-15 -3.893289188544e-14 ] [ 1.329806595264e-14 -3.36457090368e-15 3.717049760256e-14 ] [ 7.370012455680001e-15 -6.4087064832e-15 3.012092047104e-14 ] [ 1.265719530432e-14 1.92261194496e-15 -9.45284206272e-15 ] ] } "relaxed-potential-energy" { "source-value" -8.141285158928927 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.304377674490194e-18 } }