{ "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" [ [ 2.146483 1.678803 1.689789 ] [ 0.9939717 3.024801 3.865516 ] [ 2.198915 3.863733 1.927968 ] [ 4.22715 2.33689 1.172014 ] [ 3.633184 2.755923 3.714191 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.146483e-10 1.678803e-10 1.689789e-10 ] [ 9.939717000000001e-11 3.024801e-10 3.865516e-10 ] [ 2.198915e-10 3.863733e-10 1.927968e-10 ] [ 4.22715e-10 2.33689e-10 1.172014e-10 ] [ 3.633184e-10 2.755923e-10 3.714191e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -58.5034583 -64.6173298 -4.0193255 ] [ -18.366054 -5.0935855 27.96288 ] [ -19.582376 74.2061218 -29.014664 ] [ 69.7898219 6.8372004 -0.9675745 ] [ 26.6620664 -11.3324069 6.038684 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.37328731242077e-08 -1.035283751040831e-07 -6.439669347485271e-09 ] [ -2.942566233515032e-08 -8.160823604145878e-09 4.48014725862359e-08 ] [ -3.137442500691502e-08 1.188913134681972e-07 -4.648661632116741e-08 ] [ 1.118156210179759e-07 1.095440263260441e-08 -1.55022524278225e-09 ] [ 4.271733944829723e-08 -1.815651739257261e-08 9.675038325199026e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 35.654072 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.71241205947199e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5569908 1.249897 1.3855866 ] [ 1.1063943 2.651257 3.9106394 ] [ 2.2279013 4.4609707 1.6666177 ] [ 4.3178608 2.2069989 1.3200115 ] [ 3.9905565 3.0910264 4.0866228 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5569908e-10 1.249897e-10 1.3855866e-10 ] [ 1.1063943e-10 2.651257e-10 3.9106394e-10 ] [ 2.2279013e-10 4.4609707e-10 1.6666177e-10 ] [ 4.3178608e-10 2.2069989e-10 1.3200115e-10 ] [ 3.9905565e-10 3.0910264e-10 4.0866228e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.75e-05 -0.0001051 -2.33e-05 ] [ -4.77e-05 4.71e-05 2.37e-05 ] [ 1.34e-05 4.23e-05 2.03e-05 ] [ 3.96e-05 2.92e-05 -3.66e-05 ] [ 2.21e-05 -1.35e-05 1.58e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.4059857072e-14 -1.6838876284608e-13 -3.733071526464e-14 ] [ -7.642382481215999e-14 7.546251883968001e-14 3.797158591296e-14 ] [ 2.146916671872e-14 6.777207105984e-14 3.252418540224e-14 ] [ 6.344619418368e-14 4.678355732736e-14 -5.863966432128e-14 ] [ 3.540810331968e-14 -2.16293843808e-14 2.531439060864e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.044174 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.929689399964722e-18 } }