{ "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" [ [ -10.2939285 -19.1801246 -9.8440304 ] [ -12.0340574 -10.1929688 12.1933612 ] [ -6.2023038 9.2809748 -9.5614011 ] [ -6.564746 15.153842 3.2131666 ] [ 22.0674111 -7.4220413 4.3429962 ] [ 9.1043782 6.2440664 -5.7113117 ] [ 3.9232463 6.1162516 5.3672191 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.649269157888681e-08 -3.072994721815095e-08 -1.577187536132447e-08 ] [ -1.928068541964523e-08 -1.633093630790383e-08 1.953591824360983e-08 ] [ -9.937186143458999e-09 1.486976084279396e-08 -1.53190533045114e-08 ] [ -1.051788256269032e-08 2.427913136769711e-08 5.148060405255426e-09 ] [ 3.535589014600241e-08 -1.189142104947204e-08 6.958246975863241e-09 ] [ 1.458682189896119e-08 1.000409720480282e-08 -9.150530079841504e-09 ] [ 6.285733499500103e-09 9.799315320450595e-09 8.599232960731216e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.99382185 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.592278133310205e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7109667 1.8794533 1.7308189 ] [ 2.3043756 1.7243917 4.0177809 ] [ 2.6546701 3.9326849 1.0327501 ] [ 2.4395093 5.2336515 2.9949589 ] [ 5.5789612 3.3784228 3.2801712 ] [ 4.9855021 3.5335784 0.9932232 ] [ 3.5349681 3.7026302 4.4249977 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7109667e-10 1.8794533e-10 1.7308189e-10 ] [ 2.3043756e-10 1.7243917e-10 4.0177809e-10 ] [ 2.6546701e-10 3.9326849e-10 1.0327501e-10 ] [ 2.4395093e-10 5.2336515e-10 2.9949589e-10 ] [ 5.5789612e-10 3.3784228e-10 3.2801712e-10 ] [ 4.9855021e-10 3.5335784e-10 9.932232000000001e-11 ] [ 3.5349681e-10 3.7026302e-10 4.4249977e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.8e-06 3.62e-05 4e-07 ] [ 3.08e-05 -1.48e-05 -2.48e-05 ] [ 4.16e-05 -1.57e-05 1.48e-05 ] [ -4.5e-05 1.5e-05 4.6e-06 ] [ -4.54e-05 8.4e-06 -2.29e-05 ] [ -1.64e-05 -3.69e-05 5.35e-05 ] [ 4.31e-05 7.8e-06 -2.56e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.409915426304e-14 5.799879367296e-14 6.408706483200001e-16 ] [ 4.934703992064001e-14 -2.371221398784e-14 -3.973398019584e-14 ] [ 6.665054742528e-14 -2.515417294656e-14 2.371221398784e-14 ] [ -7.209794793600001e-14 2.4032649312e-14 7.370012455680001e-15 ] [ -7.273881858432e-14 1.345828361472e-14 -3.668984461632e-14 ] [ -2.627569658112e-14 -5.912031730752001e-14 8.57164492128e-14 ] [ 6.905381235648e-14 1.249697764224e-14 -4.101572149248001e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }