{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.700341 1.969723 2.203994 ] [ 1.820171 2.226461 4.644887 ] [ 1.683397 4.142957 3.874532 ] [ 4.686676 2.237231 1.35428 ] [ 4.257123 2.593073 3.820407 ] [ 3.357584 4.187851 2.029918 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.700341e-10 1.969723e-10 2.203994e-10 ] [ 1.820171e-10 2.226461e-10 4.644887e-10 ] [ 1.683397e-10 4.142957e-10 3.874532e-10 ] [ 4.686676000000001e-10 2.237231e-10 1.35428e-10 ] [ 4.257123e-10 2.593073e-10 3.820407e-10 ] [ 3.357584e-10 4.187851e-10 2.029918e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0895822 -0.7568597 0.8684542 ] [ 1.3677875 -2.9233683 0.244885 ] [ 0.1313439 3.1079236 -1.6690519 ] [ 1.1709867 0.4418844 0.0434882 ] [ -0.4428096 -0.0084401 -0.0373351 ] [ -0.1377261 0.13886 0.5495596 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.34787974807983e-09 -1.212622916565702e-09 1.391417015475567e-09 ] [ 2.19143715472248e-09 -4.683752344247841e-09 3.92349021784608e-10 ] [ 2.104361258646931e-10 4.979442531152571e-09 -2.674115933081819e-09 ] [ 1.876127514007744e-09 7.079768547762355e-10 6.967577732067455e-11 ] [ -7.094591885857998e-10 -1.352253089721408e-11 -5.981742435523008e-11 ] [ -2.206615374939629e-10 2.22478245564288e-10 8.804915428561998e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -15.626659 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.503666771101391e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9558347 1.7017818 2.1866328 ] [ 2.4056061 2.1396323 4.5066424 ] [ 1.5590591 3.8911614 3.0952735 ] [ 4.1772699 2.332489 1.6369451 ] [ 4.6270359 2.7703517 3.9569507 ] [ 3.7804864 4.5218798 2.5455736 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9558347e-10 1.7017818e-10 2.1866328e-10 ] [ 2.4056061e-10 2.1396323e-10 4.5066424e-10 ] [ 1.5590591e-10 3.8911614e-10 3.0952735e-10 ] [ 4.1772699e-10 2.332489e-10 1.6369451e-10 ] [ 4.6270359e-10 2.7703517e-10 3.956950700000001e-10 ] [ 3.7804864e-10 4.5218798e-10 2.5455736e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.9e-06 -6.4e-06 7.6e-06 ] [ -4e-06 1.33e-05 -1.02e-05 ] [ 1.88e-05 -1.57e-05 -8e-07 ] [ -2.12e-05 3.32e-05 1.27e-05 ] [ -2.3e-05 2.1e-05 -2.48e-05 ] [ 2.05e-05 -4.53e-05 1.56e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.425937192512e-14 -1.025393037312e-14 1.217654231808e-14 ] [ -6.4087064832e-15 2.130894905664e-14 -1.634220153216e-14 ] [ 3.012092047104e-14 -2.515417294656e-14 -1.28174129664e-15 ] [ -3.396614436096001e-14 5.319226381056e-14 2.034764308416e-14 ] [ -3.68500622784e-14 3.36457090368e-14 -3.973398019584e-14 ] [ 3.28446207264e-14 -7.257860092224001e-14 2.499395528448e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.513765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.806014482518531e-18 } }