{ "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" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.366012 -4.3353888 1.4820097 ] [ -1.0653551 4.7532469 -0.9186897 ] [ 1.1291005 -1.8804434 -6.9200149 ] [ -13.4736051 0.4580731 0.4156946 ] [ 6.370005 -8.4628356 -3.953893 ] [ 8.2557922 7.3069157 1.7247311 ] [ 1.1500745 2.1604321 8.1701622 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.79076911093225e-09 -6.946058577438166e-09 2.374441293138822e-09 ] [ -1.706887034070046e-09 7.615541056070075e-09 -1.471903159109766e-09 ] [ 1.809018423633591e-09 -3.012802452217663e-09 -1.108708608836765e-08 ] [ -2.158709508911165e-08 7.339140114373805e-10 6.660161695128078e-10 ] [ 1.02058730853791e-08 -1.355895734399394e-08 -6.334834925744774e-09 ] [ 1.3227237249023e-08 1.170696950469647e-08 2.763323845586667e-09 ] [ 1.84262247607825e-09 3.461393801445848e-09 1.309004286498389e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.9606255 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.345621579844311e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0753641 1.6937289 3.9105045 ] [ 2.2311903 4.7959321 2.0317451 ] [ 2.8990469 3.0717516 0.513821 ] [ 0.6434681 3.3590342 3.0344674 ] [ 3.9305398 1.9579329 2.3625059 ] [ 4.1480609 4.2464165 3.4214949 ] [ 3.1186568 3.2884406 5.3566561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0753641e-10 1.6937289e-10 3.9105045e-10 ] [ 2.2311903e-10 4.7959321e-10 2.0317451e-10 ] [ 2.8990469e-10 3.0717516e-10 5.13821e-11 ] [ 6.434681e-11 3.3590342e-10 3.0344674e-10 ] [ 3.9305398e-10 1.9579329e-10 2.3625059e-10 ] [ 4.1480609e-10 4.2464165e-10 3.4214949e-10 ] [ 3.1186568e-10 3.2884406e-10 5.356656100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-06 -1.15e-05 1.18e-05 ] [ 8e-06 1.09e-05 -5.4e-06 ] [ 1.1e-05 2.33e-05 -1.41e-05 ] [ -5.6e-06 -2.28e-05 9e-06 ] [ -1.79e-05 -4.5e-06 5.4e-06 ] [ 8.4e-06 -1.3e-05 -1.11e-05 ] [ -6.8e-06 1.75e-05 4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.48609453824e-15 -1.84250311392e-14 1.890568412544e-14 ] [ 1.28174129664e-14 1.746372516672e-14 -8.65175375232e-15 ] [ 1.76239428288e-14 3.733071526464e-14 -2.259069035328e-14 ] [ -8.972189076479999e-15 -3.652962695424e-14 1.44195895872e-14 ] [ -2.867896151232001e-14 -7.2097947936e-15 8.65175375232e-15 ] [ 1.345828361472e-14 -2.08282960704e-14 -1.778416049088e-14 ] [ -1.089480102144e-14 2.8038090864e-14 6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.906007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.907552606248115e-18 } }