{ "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" [ [ -4.6661278 -8.5327051 -5.0411189 ] [ -5.0049511 -3.0755471 5.8770676 ] [ -0.8573116 4.6836339 -4.7672866 ] [ -2.3885014 4.6912669 1.8968418 ] [ 8.9820686 -2.888432 3.6419288 ] [ 2.3404274 3.1491222 -3.2904271 ] [ 1.5943959 1.9726612 1.6829944 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.475960870824939e-09 -1.367090062340092e-08 -8.076762844253014e-09 ] [ -8.018815640667243e-09 -4.92756965978924e-09 9.416100307581167e-09 ] [ -1.373564602260641e-09 7.504008734966326e-09 -7.638035135173122e-09 ] [ -3.82680110182807e-09 7.516238149112892e-09 3.03907558531619e-09 ] [ 1.439086031734179e-08 -4.627778221170586e-09 5.835013177978199e-09 ] [ 3.74977806295973e-09 5.045449964882262e-09 -5.271845372066744e-09 ] [ 2.554503835279375e-09 3.160551655399273e-09 2.696454280617323e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.432526 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.991910249468814e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8137996 1.7516957 2.0401701 ] [ 1.7248071 2.4707634 4.0584735 ] [ 2.6165484 3.9448626 0.9749309 ] [ 2.0818261 4.8756922 3.1177891 ] [ 5.0191493 2.5038872 2.7846591 ] [ 5.0091985 4.0788435 0.9785167 ] [ 3.943624 3.7590685 4.5201616 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8137996e-10 1.7516957e-10 2.0401701e-10 ] [ 1.7248071e-10 2.4707634e-10 4.0584735e-10 ] [ 2.6165484e-10 3.9448626e-10 9.749309e-11 ] [ 2.0818261e-10 4.875692199999999e-10 3.1177891e-10 ] [ 5.0191493e-10 2.5038872e-10 2.7846591e-10 ] [ 5.0091985e-10 4.0788435e-10 9.785167000000001e-11 ] [ 3.943624e-10 3.7590685e-10 4.5201616e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.4e-06 7.8e-06 6e-07 ] [ 1.8e-06 -8e-07 -3.5e-06 ] [ 8.8e-06 -3.5e-06 1.28e-05 ] [ 1.5e-05 -7.6e-06 -2.7e-06 ] [ -4.8e-06 2e-07 -1.24e-05 ] [ -1.47e-05 -5.1e-06 1.15e-05 ] [ -1.14e-05 9.1e-06 -6.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.65175375232e-15 1.249697764224e-14 9.6130597248e-16 ] [ 2.88391791744e-15 -1.28174129664e-15 -5.6076181728e-15 ] [ 1.409915426304e-14 -5.6076181728e-15 2.050786074624e-14 ] [ 2.4032649312e-14 -1.217654231808e-14 -4.32587687616e-15 ] [ -7.69044777984e-15 3.2043532416e-16 -1.986699009792e-14 ] [ -2.355199632576e-14 -8.17110076608e-15 1.84250311392e-14 ] [ -1.826481347712e-14 1.457980724928e-14 -1.025393037312e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.875973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.864046601465204e-18 } }