{ "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" [ [ -2.1003619 -5.3650975 -1.828732 ] [ -1.1653355 1.6195887 2.2576483 ] [ 4.1035585 2.8807352 -3.001295 ] [ 0.2863863 -0.6286579 2.1984093 ] [ 1.7087844 -1.0339336 4.0222381 ] [ -2.4303877 3.0693618 -2.9789753 ] [ -0.4026441 -0.5419967 -0.6692934 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.365150731399067e-09 -8.595833782812528e-09 -2.929951656108826e-09 ] [ -1.867073293488279e-09 2.594867150451865e-09 3.617151324248865e-09 ] [ 6.574625490785117e-09 4.615446588155612e-09 -4.808604681123936e-09 ] [ 4.58841434377415e-10 -1.007220989861224e-09 3.522239983409293e-09 ] [ 2.737774415667756e-09 -1.656544241379579e-09 6.444335847111013e-09 ] [ -3.893910352419884e-09 4.917659716736605e-09 -4.772844579600667e-09 ] [ -6.451069635230572e-10 -8.683744412907513e-10 -1.072326237935743e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.847965 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.179994549345667e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8318467 1.8022821 2.041256 ] [ 1.7959415 2.5617317 4.0005219 ] [ 2.7042753 3.947907 1.0772542 ] [ 2.0989757 4.79217 3.1827972 ] [ 4.9265277 2.5874845 2.7795305 ] [ 5.030512 3.9551857 0.8915426 ] [ 3.8208742 3.7380521 4.5017986 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8318467e-10 1.8022821e-10 2.041256e-10 ] [ 1.7959415e-10 2.5617317e-10 4.0005219e-10 ] [ 2.7042753e-10 3.947907e-10 1.0772542e-10 ] [ 2.0989757e-10 4.79217e-10 3.1827972e-10 ] [ 4.926527700000001e-10 2.5874845e-10 2.7795305e-10 ] [ 5.030512e-10 3.9551857e-10 8.915426e-11 ] [ 3.8208742e-10 3.7380521e-10 4.5017986e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7e-07 2.9e-05 2.26e-05 ] [ 8.9e-06 1.96e-05 8.9e-06 ] [ -1.7e-06 -7.7e-06 -2.95e-05 ] [ -1.2e-06 -2.28e-05 1.39e-05 ] [ 1.45e-05 -2.15e-05 -4.7e-06 ] [ 4.2e-06 1.45e-05 7e-07 ] [ -2.41e-05 -1.11e-05 -1.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.12152363456e-15 4.64631220032e-14 3.620919163008e-14 ] [ 1.425937192512e-14 3.140266176767999e-14 1.425937192512e-14 ] [ -2.72370025536e-15 -1.233675998016e-14 -4.72642103136e-14 ] [ -1.92261194496e-15 -3.652962695424e-14 2.227025502912e-14 ] [ 2.32315610016e-14 -3.44467973472e-14 -7.53023011776e-15 ] [ 6.72914180736e-15 2.32315610016e-14 1.12152363456e-15 ] [ -3.861245656128e-14 -1.778416049088e-14 -1.906590178752e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.589215 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.619191215522467e-18 } }