{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -22.0778975 -9.9748172 -8.5937524 ] [ -20.4241971 -2.4638072 -29.1853716 ] [ -20.5016106 -4.337585 20.9120184 ] [ 22.0910878 -1.0353314 -3.0616107 ] [ 7.7966331 -2.3682464 6.4992622 ] [ 3.5025085 0.8408711 -1.7674085 ] [ 29.6134758 19.3389162 15.1968627 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.5372691502347e-08 -1.59814190462613e-08 -1.376870929366142e-08 ] [ -3.272317136183056e-08 -3.947454326520964e-09 -4.676012043212719e-08 ] [ -3.284720146268672e-08 -6.949577334988889e-09 3.350474725025806e-08 ] [ 3.539382469280246e-08 -1.658783777526507e-09 -4.905241125944383e-09 ] [ 1.249158337669098e-08 -3.794349045634618e-09 1.041296603507943e-08 ] [ 5.611637279086388e-09 1.347224028625877e-09 -2.831700601432989e-09 ] [ 4.744601897828445e-08 3.098435966252407e-08 2.434805832804615e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.7878082 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.273091060113598e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0655689 1.4779082 2.999544 ] [ 1.755653 3.9917328 2.2778591 ] [ 1.358804 3.3074703 4.8703172 ] [ 4.622064 1.7205436 2.5416896 ] [ 3.8591006 2.2663483 4.9756589 ] [ 4.3253859 4.1270034 1.8508161 ] [ 3.5491965 4.7801795 4.253965 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0655689e-10 1.4779082e-10 2.999544e-10 ] [ 1.755653e-10 3.9917328e-10 2.2778591e-10 ] [ 1.358804e-10 3.3074703e-10 4.8703172e-10 ] [ 4.622064e-10 1.7205436e-10 2.5416896e-10 ] [ 3.8591006e-10 2.2663483e-10 4.975658900000001e-10 ] [ 4.3253859e-10 4.1270034e-10 1.8508161e-10 ] [ 3.5491965e-10 4.7801795e-10 4.253965e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.2e-05 -8.4e-06 4.24e-05 ] [ -2e-07 2.7e-05 1.24e-05 ] [ -5.1e-06 -1.9e-06 -1.67e-05 ] [ 4.05e-05 2.71e-05 -1.9e-06 ] [ 1.77e-05 -8.4e-06 -8.2e-06 ] [ 1.78e-05 6.7e-06 2.11e-05 ] [ -1.86e-05 -4.21e-05 -4.91e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.331318496799998e-14 -1.34582837256e-14 6.79322892816e-14 ] [ -3.204353268e-16 4.325876911799999e-14 1.98669902616e-14 ] [ -8.1711008334e-15 -3.0441356046e-15 -2.67563497878e-14 ] [ 6.4888153677e-14 4.34189867814e-14 -3.0441356046e-15 ] [ 2.83585264218e-14 -1.34582837256e-14 -1.31378483988e-14 ] [ 2.851874408519999e-14 1.07345834478e-14 3.38059269774e-14 ] [ -2.98004853924e-14 -6.745163629139998e-14 -7.866687272939998e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.010874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.846966128471812e-18 } }