{ "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" [ [ 0.7640613 0.2474373 1.904604 ] [ 0.7957024 2.286987 0.9838997 ] [ 2.800961 0.7755534 0.6501687 ] [ 2.57314 0.3921087 2.718963 ] [ 2.488072 2.896141 0.3463324 ] [ 2.197679 2.730757 1.909926 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.640613000000001e-11 2.474373e-11 1.904604e-10 ] [ 7.957024000000001e-11 2.286987e-10 9.838997e-11 ] [ 2.800961e-10 7.755534e-11 6.501687e-11 ] [ 2.57314e-10 3.921087e-11 2.718963e-10 ] [ 2.488072e-10 2.896141e-10 3.463324e-11 ] [ 2.197679e-10 2.730757e-10 1.909926e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -103.7183429 -1.9821258 -45.2717222 ] [ -342.2057504 -122.2728384 -84.7397376 ] [ 14.7506255 -4.7600575 -56.710735 ] [ 89.9699854 22.6808148 77.3559844 ] [ 278.5856747 125.1478523 -835.0114717 ] [ 62.6178076 -18.8136454 944.3776821 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.661751041424977e-07 -3.175715616244497e-09 -7.253329489219234e-08 ] [ -5.482740527942003e-07 -1.959026830433365e-07 -1.357680264354467e-07 ] [ 2.363310731827631e-08 -7.626452840163695e-09 -9.08606137653843e-08 ] [ 1.441478071815973e-07 3.633867121325463e-08 1.239379496846495e-07 ] [ 4.463434548941341e-07 2.005089630983915e-07 -1.337835858057541e-06 ] [ 1.003247873824726e-07 -3.014278281190146e-08 1.513059843465915e-06 ] ] } "unrelaxed-potential-energy" { "source-value" 241.12001 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.863168428290622e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.6476829 0.0405886 1.4756585 ] [ 0.2366824 2.545562 1.1254099 ] [ 3.0205485 0.2727994 0.3517816 ] [ 2.7580832 0.5936355 2.9547965 ] [ 2.6095884 2.7777902 0.0016203 ] [ 2.3470303 3.0986087 2.604627 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.476829e-11 4.05886e-12 1.4756585e-10 ] [ 2.366824e-11 2.545562e-10 1.1254099e-10 ] [ 3.0205485e-10 2.727994e-11 3.517816000000001e-11 ] [ 2.7580832e-10 5.936355e-11 2.9547965e-10 ] [ 2.6095884e-10 2.7777902e-10 1.6203e-13 ] [ 2.3470303e-10 3.098608700000001e-10 2.604627e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.11e-05 1.14e-05 -2.64e-05 ] [ -4.8e-06 -1.96e-05 1.31e-05 ] [ 2.06e-05 3.3e-06 -9.1e-06 ] [ 8.9e-06 -8e-06 3.5e-05 ] [ -7.9e-06 -5e-06 -2.27e-05 ] [ 1.43e-05 1.79e-05 1.01e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.982769290688e-14 1.826481347712e-14 -4.229746278912e-14 ] [ -7.69044777984e-15 -3.140266176767999e-14 2.098851373248e-14 ] [ 3.300483838848e-14 5.28718284864e-15 -1.457980724928e-14 ] [ 1.425937192512e-14 -1.28174129664e-14 5.6076181728e-14 ] [ -1.265719530432e-14 -8.010883104e-15 -3.636940929216e-14 ] [ 2.291112567744e-14 2.867896151232001e-14 1.618198387008e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.635403 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.306156024738618e-18 } }