{ "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" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.113817 1.7713522 0.5738545 ] [ -0.3443517 0.0022879 0.6797813 ] [ -0.4339294 -1.7883896 -0.1234225 ] [ -0.3425623 0.4612331 -0.4515485 ] [ 1.1834256 -0.1524539 -1.8742914 ] [ 2.1171544 0.8003887 0.1383567 ] [ -0.0659198 -1.0944184 1.0572699 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.386708178049594e-09 2.838019082042646e-09 9.194162636408737e-10 ] [ -5.517122430727353e-10 3.665619890728319e-12 1.089129706117031e-09 ] [ -6.952315397577716e-10 -2.865316006001863e-09 -1.97744643980688e-10 ] [ -5.488453082274758e-10 7.389768895591085e-10 -7.234604498573089e-10 ] [ 1.896056828776213e-09 -2.442580743297811e-10 -3.002945861646501e-09 ] [ 3.392055282303851e-09 1.282364062692505e-09 2.216718700710394e-10 ] [ -1.056151624078118e-10 -1.753451573853342e-09 1.693933115655554e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.259108 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.406084581666225e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.2113673 5.4637642 3.3233478 ] [ 5.2994617 2.6332797 1.6664276 ] [ 2.9765575 2.6791194 1.9766816 ] [ 5.6151721 3.2642051 3.879616 ] [ 4.0944871 4.6906734 1.1951048 ] [ 5.5342717 5.4179323 3.013096 ] [ 3.2772227 3.3103359 4.1918811 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.2113673e-10 5.4637642e-10 3.3233478e-10 ] [ 5.2994617e-10 2.6332797e-10 1.6664276e-10 ] [ 2.9765575e-10 2.6791194e-10 1.9766816e-10 ] [ 5.6151721e-10 3.2642051e-10 3.879616e-10 ] [ 4.094487100000001e-10 4.6906734e-10 1.1951048e-10 ] [ 5.5342717e-10 5.417932300000001e-10 3.013096e-10 ] [ 3.2772227e-10 3.3103359e-10 4.1918811e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.6e-06 6.7e-06 8e-07 ] [ 3e-06 -5.6e-06 -1.8e-06 ] [ -6.2e-06 -7.6e-06 -1.3e-06 ] [ 2.2e-06 -2.5e-06 3.3e-06 ] [ -1.5e-06 4.9e-06 -3.4e-06 ] [ 5.2e-06 6.3e-06 2.3e-06 ] [ 8e-07 -2.3e-06 1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.76783583488e-15 1.073458335936e-14 1.28174129664e-15 ] [ 4.8065298624e-15 -8.972189076479999e-15 -2.88391791744e-15 ] [ -9.93349504896e-15 -1.217654231808e-14 -2.08282960704e-15 ] [ 3.52478856576e-15 -4.005441552e-15 5.28718284864e-15 ] [ -2.4032649312e-15 7.850665441919999e-15 -5.44740051072e-15 ] [ 8.33131842816e-15 1.009371271104e-14 3.68500622784e-15 ] [ 1.28174129664e-15 -3.68500622784e-15 1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }