{ "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" [ [ 0.5553273 0.1996505 0.6472291 ] [ 0.1875206 -1.1971364 -0.4816475 ] [ -2.6291962 1.0023268 0.541786 ] [ 4.4838529 -6.9220444 -3.4939208 ] [ -0.4279116 -1.6506434 4.4644648 ] [ -0.8870791 8.3124051 0.2985204 ] [ -1.282514 0.2554417 -1.9764321 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.897324169519877e-10 3.198753634310304e-10 1.036975332321425e-09 ] [ 3.004411212383885e-10 -1.918023951988677e-09 -7.71684363966768e-10 ] [ -4.212436683136201e-09 1.605904565361278e-09 8.680368626767488e-10 ] [ 7.183924287486279e-09 -1.109033770581956e-08 -5.597878220686833e-09 ] [ -6.855899612891213e-10 -2.644622264757823e-09 7.152861126944548e-09 ] [ -1.421257394820305e-09 1.331794111383869e-08 4.782824057118644e-10 ] [ -2.054813946648691e-09 4.092627197174074e-10 -3.166593303218648e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.209696 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.276644271987528e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1530844 2.1289456 1.5900938 ] [ 3.6142847 0.7160252 2.6346204 ] [ 2.0471607 3.5091918 3.4083903 ] [ 5.3311915 1.7953494 1.5280376 ] [ 3.3503738 1.9807804 4.5498168 ] [ 3.6104213 4.8623287 2.3776251 ] [ 3.8511134 3.3402857 0.6563758 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1530844e-10 2.1289456e-10 1.5900938e-10 ] [ 3.6142847e-10 7.160252000000001e-11 2.6346204e-10 ] [ 2.0471607e-10 3.5091918e-10 3.408390300000001e-10 ] [ 5.331191500000001e-10 1.7953494e-10 1.5280376e-10 ] [ 3.3503738e-10 1.9807804e-10 4.549816800000001e-10 ] [ 3.6104213e-10 4.8623287e-10 2.3776251e-10 ] [ 3.8511134e-10 3.3402857e-10 6.563757999999999e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.21e-05 -2.1e-05 -3.5e-06 ] [ -9.1e-06 2.4e-06 7.9e-06 ] [ -1.54e-05 -3.59e-05 1e-07 ] [ -8.2e-06 6.8e-06 -2.41e-05 ] [ 2.6e-06 2.61e-05 7.6e-06 ] [ 2.52e-05 5.9e-06 -4.1e-06 ] [ 2.69e-05 1.57e-05 1.61e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.540810331968e-14 -3.36457090368e-14 -5.6076181728e-15 ] [ -1.457980724928e-14 3.84522388992e-15 1.265719530432e-14 ] [ -2.467351996032e-14 -5.751814068672e-14 1.6021766208e-16 ] [ -1.313784829056e-14 1.089480102144e-14 -3.861245656128e-14 ] [ 4.16565921408e-15 4.181680980288e-14 1.217654231808e-14 ] [ 4.037485084416e-14 9.45284206272e-15 -6.568924145279999e-15 ] [ 4.309855109952001e-14 2.515417294656e-14 2.579504359488e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }