{ "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" [ [ 0.1860509 3.95381 2.613527 ] [ 1.567846 3.644648 0.7971861 ] [ 2.293743 3.741388 3.176886 ] [ 3.786148 2.787453 1.709706 ] [ 5.865671 2.396852 2.649651 ] [ 3.786965 2.496542 4.574471 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.860509e-11 3.95381e-10 2.613527e-10 ] [ 1.567846e-10 3.644648e-10 7.971861000000001e-11 ] [ 2.293743e-10 3.741388e-10 3.176886e-10 ] [ 3.786148e-10 2.787453e-10 1.709706e-10 ] [ 5.865671e-10 2.396852e-10 2.649651e-10 ] [ 3.786965e-10 2.496542e-10 4.574471e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.1464098 0.1844661 -0.3222453 ] [ 1.0687434 -0.4288176 -0.309788 ] [ 1.7956977 0.8753136 2.2939458 ] [ -0.2737625 -0.5841103 -0.197521 ] [ -3.6989082 0.0892616 4.3799929 ] [ 4.2546394 -0.1361135 -5.8443844 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.041104262548612e-09 2.955472751851073e-10 -5.162938900763202e-10 ] [ 1.712315703221715e-09 -6.870415389679584e-10 -4.963350950935919e-10 ] [ 2.877024896667542e-09 1.402406997342422e-09 3.675306360422437e-09 ] [ -4.38615880765425e-10 -9.3584787433873e-10 -3.16463530924314e-10 ] [ -5.926304289350998e-09 1.430128498334544e-10 7.017522281465899e-09 ] [ 6.816683832775779e-09 -2.18077869271959e-10 -9.36373612579411e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.278436 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.447875316326442e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.1614724 3.596536 2.7705734 ] [ 1.6277101 3.5492214 0.9120185 ] [ 2.4102345 4.2852986 3.1467866 ] [ 3.8692659 2.9533438 1.6487033 ] [ 5.7277488 2.1531094 2.9473048 ] [ 3.6899922 2.4831839 4.0960405 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.614724e-11 3.596536e-10 2.7705734e-10 ] [ 1.6277101e-10 3.5492214e-10 9.120185e-11 ] [ 2.4102345e-10 4.2852986e-10 3.1467866e-10 ] [ 3.8692659e-10 2.9533438e-10 1.6487033e-10 ] [ 5.7277488e-10 2.1531094e-10 2.9473048e-10 ] [ 3.6899922e-10 2.4831839e-10 4.0960405e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-07 1e-07 1.5e-06 ] [ 9e-07 3e-07 -8e-07 ] [ -1.3e-06 3e-07 -1e-06 ] [ 6e-07 -6e-07 1.1e-06 ] [ 2e-07 2e-07 -7e-07 ] [ -5e-07 -4e-07 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.602176634e-16 1.602176634e-16 2.403264951e-15 ] [ 1.4419589706e-15 4.806529901999999e-16 -1.2817413072e-15 ] [ -2.0828296242e-15 4.806529901999999e-16 -1.602176634e-15 ] [ 9.613059803999998e-16 -9.613059803999998e-16 1.7623942974e-15 ] [ 3.204353268e-16 3.204353268e-16 -1.1215236438e-15 ] [ -8.010883169999999e-16 -6.408706536e-16 0.0 ] ] } "relaxed-potential-energy" { "source-value" -17.341189 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.778364782157782e-18 } }