{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.086446 2.17872 1.239282 ] [ 2.929314 1.55844 2.269162 ] [ 0.8330856 2.151385 3.328528 ] [ 0.5041522 4.058533 2.531522 ] [ 2.750614 3.605463 1.493085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.086446e-10 2.17872e-10 1.239282e-10 ] [ 2.929314e-10 1.55844e-10 2.269162e-10 ] [ 8.330856e-11 2.151385e-10 3.328528e-10 ] [ 5.041522000000001e-11 4.058533e-10 2.531522e-10 ] [ 2.750614e-10 3.605463e-10 1.493085e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.2676092 -2.3208393 -8.4347808 ] [ 3.3340758 -3.5607925 2.5823055 ] [ -0.8361363 -5.1990516 8.1923889 ] [ -0.687038 5.7988518 -1.172196 ] [ 2.4567077 5.2818315 -1.1677177 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.837463686950992e-09 -3.718394467093837e-09 -1.351400859933272e-08 ] [ 5.341778298735056e-09 -5.705018495019985e-09 4.137309499863254e-09 ] [ -1.339638031662215e-09 -8.329798923852833e-09 1.312565396408143e-08 ] [ -1.100756221201191e-09 9.290784781443996e-09 -1.878065026195277e-09 ] [ 3.93607964107934e-09 8.462426944304995e-09 -1.870889998634348e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.279928 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.80724369259073e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.9398272 2.1330799 1.0250399 ] [ 2.9246651 1.5915293 2.4221319 ] [ 0.8086099 1.9427929 3.5011833 ] [ 0.657231 4.1182051 2.4961459 ] [ 2.7732787 3.7669337 1.4170779 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.398272e-11 2.1330799e-10 1.0250399e-10 ] [ 2.9246651e-10 1.5915293e-10 2.4221319e-10 ] [ 8.086099000000001e-11 1.9427929e-10 3.5011833e-10 ] [ 6.57231e-11 4.1182051e-10 2.4961459e-10 ] [ 2.7732787e-10 3.7669337e-10 1.4170779e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.6e-06 1.31e-05 8.6e-06 ] [ 1.06e-05 -6.6e-06 -1.22e-05 ] [ -1.7e-06 9.5e-06 4.8e-06 ] [ -7e-07 -9.2e-06 -1.54e-05 ] [ -1.07e-05 -6.9e-06 1.41e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.16565921408e-15 2.098851373248e-14 1.377871893888e-14 ] [ 1.698307218048e-14 -1.057436569728e-14 -1.954655477376e-14 ] [ -2.72370025536e-15 1.52206778976e-14 7.69044777984e-15 ] [ -1.12152363456e-15 -1.474002491136e-14 -2.467351996032e-14 ] [ -1.714328984256e-14 -1.105501868352e-14 2.259069035328e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.9991 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.242903073224128e-18 } }