{ "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" [ [ 0.1135843 1.090818 0.6070393 ] [ 0.463669 0.0470556 2.807524 ] [ 1.463077 2.472969 2.736641 ] [ 1.89694 0.8949072 0.1877689 ] [ 2.774068 0.9895664 2.110174 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.135843e-11 1.090818e-10 6.070393e-11 ] [ 4.63669e-11 4.705560000000001e-12 2.807524e-10 ] [ 1.463077e-10 2.472969e-10 2.736641e-10 ] [ 1.89694e-10 8.949072000000001e-11 1.877689e-11 ] [ 2.774068e-10 9.895664e-11 2.110174e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.3747633 1.2507053 3.7251988 ] [ 0.6694156 1.3151885 -0.3703142 ] [ -3.025358 2.0513627 1.3929065 ] [ 11.684502 -1.6832118 -8.0884427 ] [ 4.0462037 -2.9340447 3.3406516 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.142873306799386e-08 2.00385079117065e-09 5.968426425192215e-09 ] [ 1.072522023918805e-09 2.107164266645021e-09 -5.933087535902553e-10 ] [ -4.847157857150247e-09 3.286645358721164e-09 2.231682229260355e-09 ] [ 1.872063593009084e-08 -2.696802593814685e-09 -1.295911379262043e-08 ] [ 6.482732971134457e-09 -4.70085782272215e-09 5.352313891758114e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.0702943992349496 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.714800663827418e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.011098 1.3051964 0.8516841 ] [ 0.646198 0.1560633 2.8221176 ] [ 1.1083099 2.401863 2.6405159 ] [ 2.1210543 0.7977803 -0.0544118 ] [ 2.8246782 0.8344131 2.1892414 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1098e-12 1.3051964e-10 8.516841000000001e-11 ] [ 6.46198e-11 1.560633e-11 2.8221176e-10 ] [ 1.1083099e-10 2.401863e-10 2.6405159e-10 ] [ 2.1210543e-10 7.977803000000001e-11 -5.44118e-12 ] [ 2.8246782e-10 8.344131e-11 2.1892414e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.4e-06 7e-06 -3e-06 ] [ 1.4e-06 3.1e-06 2.4e-06 ] [ -3.3e-06 -6.9e-06 3.1e-06 ] [ 8.8e-06 -5.4e-06 7.8e-06 ] [ 2.6e-06 2.1e-06 -1.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.506046023552e-14 1.12152363456e-14 -4.8065298624e-15 ] [ 2.24304726912e-15 4.96674752448e-15 3.84522388992e-15 ] [ -5.28718284864e-15 -1.105501868352e-14 4.96674752448e-15 ] [ 1.409915426304e-14 -8.65175375232e-15 1.249697764224e-14 ] [ 4.16565921408e-15 3.36457090368e-15 -1.666263685632e-14 ] ] } "relaxed-potential-energy" { "source-value" -5.092110399234951 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.158460232186793e-19 } }