{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2033144 -1.7233137 0.5319084 ] [ 1.835833 -5.3037687 -0.4801224 ] [ -1.0928797 -0.722766 0.0007899 ] [ 0.8287242 2.2959282 -1.9110496 ] [ 1.0254639 0.8787279 0.5503047 ] [ -1.3876585 0.9361978 -2.3496867 ] [ -0.0061685 3.6389945 3.6578558 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.927922215035729e-09 -2.761052943192086e-09 8.522112099083254e-10 ] [ 2.941328736526122e-09 -8.497574283280555e-09 -7.692408907400015e-10 ] [ -1.750986319112929e-09 -1.157998797049644e-09 1.2655593231966e-12 ] [ 1.327762549270343e-09 3.678482515381679e-09 -3.061839015535046e-09 ] [ 1.642974299590513e-09 1.407877309023888e-09 8.816853319203797e-10 ] [ -2.223274024671488e-09 1.499954239962205e-09 -3.764613127960568e-09 ] [ -9.883026566829e-12 5.830311959154512e-09 5.860531093301377e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.274145005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.767623150056535e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2621534 2.8796634 2.7529434 ] [ 4.7892795 1.2480311 1.4576377 ] [ 5.0715829 2.4401051 4.3778524 ] [ 3.5273476 1.0747999 3.3674116 ] [ 5.3978896 3.4454848 2.2188321 ] [ 3.4706926 3.1290756 0.8172428 ] [ 3.7529903 4.3211427 3.737448 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2621534e-10 2.8796634e-10 2.7529434e-10 ] [ 4.7892795e-10 1.2480311e-10 1.4576377e-10 ] [ 5.071582900000001e-10 2.4401051e-10 4.3778524e-10 ] [ 3.5273476e-10 1.0747999e-10 3.3674116e-10 ] [ 5.397889600000001e-10 3.4454848e-10 2.2188321e-10 ] [ 3.4706926e-10 3.1290756e-10 8.172428e-11 ] [ 3.7529903e-10 4.3211427e-10 3.737448e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8e-06 1.14e-05 -6.7e-06 ] [ -5.5e-06 -1.42e-05 2.23e-05 ] [ -3.8e-06 -1.15e-05 -9.6e-06 ] [ 1.25e-05 -2e-07 -1.22e-05 ] [ 2e-06 2.78e-05 4e-06 ] [ -8.6e-06 -1.61e-05 -1.97e-05 ] [ 1.14e-05 2.8e-06 2.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.2817413072e-14 1.82648136276e-14 -1.07345834478e-14 ] [ -8.811971486999999e-15 -2.27509082028e-14 3.572853893819999e-14 ] [ -6.088271209199999e-15 -1.8425031291e-14 -1.53808956864e-14 ] [ 2.0027207925e-14 -3.204353268e-16 -1.95465549348e-14 ] [ 3.204353268e-15 4.454051042519999e-14 6.408706535999999e-15 ] [ -1.37787190524e-14 -2.579504380739999e-14 -3.15628796898e-14 ] [ 1.82648136276e-14 4.486094575199999e-15 3.492745062119999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }