{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.3231812 -14.9702011 -8.4941787 ] [ -4.4966563 -1.069561 9.1464618 ] [ 1.7910384 10.5054589 -10.2741507 ] [ -4.3177487 2.2477611 4.1791896 ] [ 5.3043459 -5.3675561 13.7557019 ] [ 3.7450044 7.2838581 -10.6606857 ] [ 4.2971974 1.3702401 2.3476617 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.013085308772209e-08 -2.398490621109444e-08 -1.360917452603734e-08 ] [ -7.204437595633031e-09 -1.713625628719469e-09 1.465424725900029e-08 ] [ 2.869559851435039e-09 1.683160064035529e-08 -1.646100405011595e-08 ] [ -6.917796021629593e-09 3.601310283563691e-09 6.695799871010504e-09 ] [ 8.498498989616335e-09 -8.599772894252426e-09 2.203906398687414e-08 ] [ 6.000158494473132e-09 1.167002715704471e-08 -1.708030139023688e-08 ] [ 6.884869209242546e-09 2.195366653102654e-09 3.761368689287584e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.435659 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.473065197644111e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5860051 1.6367721 1.6019027 ] [ 2.1482831 2.3519309 4.0533036 ] [ 2.6121328 4.0664417 0.9031197 ] [ 1.9643995 4.835025 3.1989293 ] [ 4.7279506 2.3101113 2.9803235 ] [ 5.1082387 3.9827301 1.1246897 ] [ 4.0619431 4.201802 4.6124324 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5860051e-10 1.6367721e-10 1.6019027e-10 ] [ 2.1482831e-10 2.3519309e-10 4.0533036e-10 ] [ 2.6121328e-10 4.066441700000001e-10 9.031197e-11 ] [ 1.9643995e-10 4.835025e-10 3.1989293e-10 ] [ 4.7279506e-10 2.3101113e-10 2.9803235e-10 ] [ 5.108238700000001e-10 3.9827301e-10 1.1246897e-10 ] [ 4.0619431e-10 4.201802e-10 4.612432400000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.69e-05 4.58e-05 1.22e-05 ] [ 3.5e-06 2.08e-05 3.01e-05 ] [ 3.97e-05 -1.49e-05 3.22e-05 ] [ 1.5e-06 -9.7e-06 2.37e-05 ] [ -7.24e-05 0.0 4.83e-05 ] [ -1.13e-05 2.17e-05 -5.25e-05 ] [ -2.78e-05 -6.37e-05 -9.41e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.0718561593152e-13 7.337968923264e-14 1.954655477376e-14 ] [ 5.6076181728e-15 3.332527371264e-14 4.822551628608e-14 ] [ 6.360641184576e-14 -2.387243164992e-14 5.159008718975999e-14 ] [ 2.4032649312e-15 -1.554111322176e-14 3.797158591296e-14 ] [ -1.1599758734592e-13 0.0 7.738513078464e-14 ] [ -1.810459581504e-14 3.476723267136e-14 -8.4114272592e-14 ] [ -4.454051005824e-14 -1.0205865074496e-13 -1.5076482001728e-13 ] ] } "relaxed-potential-energy" { "source-value" -23.607995 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.78241776529633e-18 } }