{ "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" [ [ -4.9820523 -9.1104198 -5.3824325 ] [ -5.343816 -3.2837799 6.2749799 ] [ -0.9153567 5.0007437 -5.0900601 ] [ -2.5502171 5.0088935 2.0252692 ] [ 9.5902079 -3.083996 3.888509 ] [ 2.4988882 3.3623364 -3.5132085 ] [ 1.7023459 2.1062221 1.7969431 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.982127718662868e-09 -1.459650160923341e-08 -8.623607514534097e-09 ] [ -8.561737061056973e-09 -5.261195383632962e-09 1.005362609176992e-08 ] [ -1.46656310443264e-09 8.01207464275289e-09 -8.15517529068691e-09 ] [ -4.085898215584376e-09 8.025132061777086e-09 3.244838963066319e-09 ] [ 1.536520688599147e-08 -4.941106289840716e-09 6.230078209570387e-09 ] [ 4.003660252032995e-09 5.387056771344837e-09 -5.628780522695837e-09 ] [ 2.727458801494735e-09 3.37453980683228e-09 2.879020223727876e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.274282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.126774427830627e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8137996 1.7516956 2.0401701 ] [ 1.7248073 2.4707635 4.0584734 ] [ 2.6165484 3.9448627 0.9749309 ] [ 2.0818259 4.875692 3.1177891 ] [ 5.0191493 2.5038873 2.7846591 ] [ 5.0091985 4.0788434 0.9785166 ] [ 3.943624 3.7590685 4.5201618 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8137996e-10 1.7516956e-10 2.0401701e-10 ] [ 1.7248073e-10 2.4707635e-10 4.0584734e-10 ] [ 2.6165484e-10 3.9448627e-10 9.749309e-11 ] [ 2.0818259e-10 4.875692000000001e-10 3.1177891e-10 ] [ 5.0191493e-10 2.5038873e-10 2.7846591e-10 ] [ 5.0091985e-10 4.0788434e-10 9.785166e-11 ] [ 3.943624e-10 3.7590685e-10 4.520161800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.7e-06 8.7e-06 4e-07 ] [ 1.1e-06 -1.8e-06 -3.1e-06 ] [ 9.3e-06 -4.5e-06 1.32e-05 ] [ 1.6e-05 -6.8e-06 -2.6e-06 ] [ -5e-06 3e-07 -1.22e-05 ] [ -1.56e-05 -5e-06 1.23e-05 ] [ -1.15e-05 9.2e-06 -8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.13240673856e-15 1.393893660096e-14 6.408706483200001e-16 ] [ 1.76239428288e-15 -2.88391791744e-15 -4.96674752448e-15 ] [ 1.490024257344e-14 -7.2097947936e-15 2.114873139456e-14 ] [ 2.56348259328e-14 -1.089480102144e-14 -4.16565921408e-15 ] [ -8.010883104e-15 4.8065298624e-16 -1.954655477376e-14 ] [ -2.499395528448e-14 -8.010883104e-15 1.970677243584e-14 ] [ -1.84250311392e-14 1.474002491136e-14 -1.28174129664e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }