{ "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" [ [ 0.0587563 2.624587 0.4359975 ] [ 0.6130103 1.606213 2.369845 ] [ 2.872214 1.39186 0.7464612 ] [ 1.941337 0.0175427 2.118778 ] [ 2.055015 2.698548 0.547582 ] [ 2.796139 2.772611 2.055467 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.87563e-12 2.624587e-10 4.359975e-11 ] [ 6.130103e-11 1.606213e-10 2.369845e-10 ] [ 2.872214e-10 1.39186e-10 7.464612e-11 ] [ 1.941337e-10 1.75427e-12 2.118778e-10 ] [ 2.055015e-10 2.698548e-10 5.47582e-11 ] [ 2.796139e-10 2.772611e-10 2.055467e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -7.2016567 -0.2847213 -0.8602176 ] [ -2.7320783 1.6711742 1.8242044 ] [ 24.7890762 -45.7308268 -4.9127336 ] [ 0.9677742 -5.3356103 1.9068841 ] [ -25.9632508 39.0368162 -28.6014937 ] [ 10.1401354 10.643168 30.6433565 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.153832599576768e-08 -4.561738103037831e-10 -1.378220527520686e-09 ] [ -4.377271978455008e-09 2.677516232524143e-09 2.922697641240491e-09 ] [ 3.971647833886971e-08 -7.326886154881409e-08 -7.87106691813862e-09 ] [ 1.550545197453423e-09 -8.548590080359674e-09 3.055165123595249e-09 ] [ -4.15977134317269e-08 6.254387426610669e-08 -4.582464452609848e-08 ] [ 1.624628786962646e-08 1.705223494084669e-08 4.909606936713971e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 0.47534828 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.615919009534923e-20 } "relaxed-configuration-positions" { "source-value" [ [ -0.0965074 2.7167382 0.6657607 ] [ 0.5445309 1.6422609 2.643495 ] [ 3.3684282 1.1350297 0.7865446 ] [ 1.8810226 -0.1777573 2.0285197 ] [ 2.1041314 2.9855693 -0.0847106 ] [ 2.534866 2.809521 2.2345214 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.65074e-12 2.7167382e-10 6.657607e-11 ] [ 5.445309e-11 1.6422609e-10 2.643495e-10 ] [ 3.3684282e-10 1.1350297e-10 7.865446000000001e-11 ] [ 1.8810226e-10 -1.777573e-11 2.0285197e-10 ] [ 2.1041314e-10 2.9855693e-10 -8.47106e-12 ] [ 2.534866e-10 2.809521e-10 2.2345214e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.1e-06 -2.2e-06 -6.7e-06 ] [ 3.5e-06 -9.9e-06 6e-07 ] [ -7.8e-06 5e-06 9.7e-06 ] [ -4.3e-06 1.12e-05 -5e-07 ] [ -4.9e-06 2.8e-06 -1.15e-05 ] [ 1.66e-05 -6.9e-06 8.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.96674752448e-15 -3.52478856576e-15 -1.073458335936e-14 ] [ 5.6076181728e-15 -1.586154854592e-14 9.6130597248e-16 ] [ -1.249697764224e-14 8.010883104e-15 1.554111322176e-14 ] [ -6.889359469440001e-15 1.794437815296e-14 -8.010883104e-16 ] [ -7.850665441919999e-15 4.48609453824e-15 -1.84250311392e-14 ] [ 2.659613190528e-14 -1.105501868352e-14 1.345828361472e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.021857 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.727202132800083e-18 } }