{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.047673 1.456203 2.59416 ] [ 0.648425 2.408552 0.8864435 ] [ 2.028254 0.9559849 0.3097335 ] [ 1.556479 0.0798405 1.221415 ] [ 2.621496 2.506538 1.825694 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.047673e-10 1.456203e-10 2.59416e-10 ] [ 6.48425e-11 2.408552e-10 8.864435000000001e-11 ] [ 2.028254e-10 9.559849e-11 3.097335e-11 ] [ 1.556479e-10 7.98405e-12 1.221415e-10 ] [ 2.621496e-10 2.506538e-10 1.825694e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -14.5438973 -7.6458305 39.0073556 ] [ -24.2371983 23.5777884 -21.0313538 ] [ 49.5336312 65.6913588 -94.4767692 ] [ -37.4481771 -98.7590637 72.3245165 ] [ 26.6956416 17.1357471 4.1762509 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.330189242135569e-08 -1.224997097462454e-08 6.249667369644904e-08 ] [ -3.883227278988452e-08 3.777578165587625e-08 -3.369594363974711e-08 ] [ 7.936162650581337e-08 1.052491601250703e-07 -1.513684720680509e-07 ] [ -5.999859433551388e-08 -1.582294642558576e-07 1.158766504016474e-07 ] [ 4.277113320115837e-08 2.745449360975326e-08 6.691091609701471e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 47.147509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.55386372711047e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.515656 1.1994604 2.8337406 ] [ 0.8560892 2.7042898 0.9329696 ] [ 1.9535779 0.9237619 -0.3392592 ] [ 1.4829237 -0.6339775 1.5070946 ] [ 3.0940803 3.2135837 1.9029003 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15656e-11 1.1994604e-10 2.8337406e-10 ] [ 8.560892e-11 2.7042898e-10 9.329695999999999e-11 ] [ 1.9535779e-10 9.237619e-11 -3.392592e-11 ] [ 1.4829237e-10 -6.339775e-11 1.5070946e-10 ] [ 3.0940803e-10 3.2135837e-10 1.9029003e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.7e-06 6e-06 3.3e-06 ] [ -5e-06 -2.6e-06 -3.1e-06 ] [ 3.8e-06 2e-07 -4.5e-06 ] [ -5.5e-06 -5.7e-06 -1.3e-06 ] [ -1e-06 2.2e-06 5.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.23367600818e-14 9.613059803999999e-15 5.2871828922e-15 ] [ -8.010883169999999e-15 -4.165659248399999e-15 -4.9667475654e-15 ] [ 6.088271209199999e-15 3.204353268e-16 -7.209794853e-15 ] [ -8.811971486999999e-15 -9.1324068138e-15 -2.0828296242e-15 ] [ -1.602176634e-15 3.5247885948e-15 8.972189150399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.027456 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.92701089696631e-18 } }