{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4426761 -0.3996242 -0.3146991 ] [ -1.0974036 -2.7718172 -1.7117545 ] [ -11.8062661 1.0891994 3.8725007 ] [ 11.686014 -10.5391121 -6.1066465 ] [ 1.472457 -2.1816206 11.1880968 ] [ 2.7134723 13.70634 0.2318596 ] [ -3.4109497 1.0966348 -7.159357 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.09245298006923e-10 -6.402685503459034e-10 -5.042035406068013e-10 ] [ -1.758234391501755e-09 -4.440940714971318e-09 -2.742533040449194e-09 ] [ -1.89157235243636e-08 1.745089814069387e-09 6.204430085571634e-09 ] [ 1.872305842114149e-08 -1.688551901061039e-08 -9.783926253790147e-09 ] [ 2.359136180533305e-09 -3.495341520775669e-09 1.79253071242073e-08 ] [ 4.347461880248403e-09 2.195997750473587e-08 3.714800304280397e-10 ] [ -5.464943864064774e-09 1.757002638115684e-09 -1.147055440536083e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -4.645514 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.442933922399092e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.4560517 1.8507675 0.3878164 ] [ 2.9960564 0.8413269 2.3837983 ] [ 2.058151 2.6672556 3.5053114 ] [ 5.1404447 1.5841483 2.2470658 ] [ 3.9008526 3.681223 4.4376785 ] [ 4.7906925 3.8293892 2.3208977 ] [ 2.615381 3.8787965 1.4623917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4560517e-10 1.8507675e-10 3.878164e-11 ] [ 2.9960564e-10 8.413269e-11 2.3837983e-10 ] [ 2.058151e-10 2.6672556e-10 3.5053114e-10 ] [ 5.1404447e-10 1.5841483e-10 2.2470658e-10 ] [ 3.9008526e-10 3.681223e-10 4.4376785e-10 ] [ 4.790692499999999e-10 3.8293892e-10 2.3208977e-10 ] [ 2.615381e-10 3.8787965e-10 1.4623917e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.37e-05 1.08e-05 -4.8e-06 ] [ 4e-07 -2.44e-05 3.74e-05 ] [ -1.48e-05 -5.7e-06 9e-06 ] [ 1.18e-05 -2.43e-05 -1.65e-05 ] [ -5.5e-06 -5.5e-06 -1.43e-05 ] [ 9.9e-06 8.6e-06 -1.7e-06 ] [ -2.54e-05 4.05e-05 -9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.797158591296e-14 1.730350750464e-14 -7.69044777984e-15 ] [ 6.408706483200001e-16 -3.909310954752e-14 5.992140561792e-14 ] [ -2.371221398784e-14 -9.13240673856e-15 1.44195895872e-14 ] [ 1.890568412544e-14 -3.893289188544e-14 -2.64359142432e-14 ] [ -8.8119714144e-15 -8.8119714144e-15 -2.291112567744e-14 ] [ 1.586154854592e-14 1.377871893888e-14 -2.72370025536e-15 ] [ -4.069528616832e-14 6.488815314240001e-14 -1.44195895872e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.23956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.281429012247885e-18 } }