{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.982478 1.406412 2.920232 ] [ 1.664708 2.759694 5.087468 ] [ 1.282886 3.129979 1.519732 ] [ 2.3658 4.253432 3.372825 ] [ 3.481612 3.001234 2.026348 ] [ 4.008994 2.747584 4.108071 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.982478e-10 1.406412e-10 2.920232e-10 ] [ 1.664708e-10 2.759694e-10 5.087468e-10 ] [ 1.282886e-10 3.129979e-10 1.519732e-10 ] [ 2.3658e-10 4.253432e-10 3.372825e-10 ] [ 3.481612e-10 3.001234e-10 2.026348e-10 ] [ 4.008994e-10 2.747584e-10 4.108071e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9288292 -2.6496242 0.7549502 ] [ -0.2332177 -0.4395522 0.3396299 ] [ -2.207036 0.520013 -1.4584137 ] [ -2.0970941 4.4578345 1.5832839 ] [ 3.3549673 -0.8244026 -3.976566 ] [ 2.1112097 -1.0642686 2.7571157 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.488148428956367e-09 -4.245165947145904e-09 1.209563560308284e-09 ] [ -3.736559464967482e-10 -7.042402584612057e-10 5.441470855046419e-10 ] [ -3.536061480463949e-09 8.331526711120703e-10 -2.336636333594425e-09 ] [ -3.359915138637618e-09 7.142238215295657e-09 2.536700448669045e-09 ] [ 5.3752501716085e-09 -1.320838571846734e-09 -6.371161076268172e-09 ] [ 3.382530822946182e-09 -1.705146269171547e-09 4.417386315380627e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.0198 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.925784254669184e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2657333 1.3037853 3.112704 ] [ 2.0689854 2.7190032 4.7848391 ] [ 1.6988095 3.1163374 1.7087156 ] [ 1.5122535 4.5905674 3.5075834 ] [ 3.9793916 2.9356162 1.789087 ] [ 4.2613047 2.6330255 4.1317469 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2657333e-10 1.3037853e-10 3.112704e-10 ] [ 2.0689854e-10 2.7190032e-10 4.7848391e-10 ] [ 1.6988095e-10 3.1163374e-10 1.7087156e-10 ] [ 1.5122535e-10 4.590567400000001e-10 3.5075834e-10 ] [ 3.9793916e-10 2.9356162e-10 1.789087e-10 ] [ 4.2613047e-10 2.6330255e-10 4.1317469e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3e-06 -8.7e-06 3.5e-06 ] [ -4.7e-06 -5.2e-06 -1.13e-05 ] [ -1.38e-05 -2e-06 4e-07 ] [ 9.6e-06 1.2e-05 7e-07 ] [ 3.3e-06 3.9e-06 -7.4e-06 ] [ 2.5e-06 1e-07 1.41e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.8065298624e-15 -1.393893660096e-14 5.6076181728e-15 ] [ -7.53023011776e-15 -8.33131842816e-15 -1.810459581504e-14 ] [ -2.211003736704e-14 -3.2043532416e-15 6.408706483200001e-16 ] [ 1.538089555968e-14 1.92261194496e-14 1.12152363456e-15 ] [ 5.28718284864e-15 6.24848882112e-15 -1.185610699392e-14 ] [ 4.005441552e-15 1.6021766208e-16 2.259069035328e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.181251 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.272086880589662e-18 } }