{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.6837239 -0.2547187 -4.5072516 ] [ -6.1479164 -3.7385792 9.6661589 ] [ 4.1811057 1.9959731 0.0251952 ] [ 3.5861733 -0.1551818 1.0688613 ] [ 15.3554537 8.9669347 -10.3638435 ] [ 2.2695481 6.7983402 0.5347075 ] [ -12.5606406 -13.6127683 3.5761722 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.07085061724622e-08 -4.08104346020569e-10 -7.221413137583394e-09 ] [ -9.8500479227129e-09 -5.989864189249167e-09 1.548689380251785e-08 ] [ 6.698869801633618e-09 3.1979014365657e-09 4.036716039638017e-11 ] [ 5.745683019397185e-09 -2.486286519336615e-10 1.712504585737895e-09 ] [ 2.460214891991686e-08 1.436661313658026e-08 -1.660470775733005e-08 ] [ 3.636216905601061e-09 1.08921417286848e-08 8.56695855466416e-10 ] [ -2.012436471159128e-08 -2.181005911462736e-08 5.729659490794902e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.893872 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.347567323638774e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4673821 2.3319916 2.4773124 ] [ 2.2174341 1.3108248 4.6616216 ] [ 2.5600205 4.5767448 2.1133797 ] [ 2.0210267 3.8202005 4.4591029 ] [ 3.7215449 1.2858403 2.6334227 ] [ 4.2750926 2.7738568 4.615381 ] [ 4.7725671 3.5499772 2.2669008 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4673821e-10 2.3319916e-10 2.4773124e-10 ] [ 2.2174341e-10 1.3108248e-10 4.661621600000001e-10 ] [ 2.5600205e-10 4.5767448e-10 2.1133797e-10 ] [ 2.0210267e-10 3.8202005e-10 4.459102900000001e-10 ] [ 3.7215449e-10 1.2858403e-10 2.6334227e-10 ] [ 4.2750926e-10 2.7738568e-10 4.615381000000001e-10 ] [ 4.7725671e-10 3.5499772e-10 2.2669008e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.24e-05 7.48e-05 2.69e-05 ] [ -3.44e-05 -4.64e-05 2.38e-05 ] [ -7.06e-05 1.95e-05 3.79e-05 ] [ -3.14e-05 2.02e-05 -7e-07 ] [ 4.35e-05 -8.71e-05 -4.62e-05 ] [ -3.68e-05 5.27e-05 2.51e-05 ] [ 5.74e-05 -3.37e-05 -6.69e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1599758734592e-13 1.1984281123584e-13 4.309855109952001e-14 ] [ -5.511487575552001e-14 -7.434099520512001e-14 3.813180357504e-14 ] [ -1.1311366942848e-13 3.12424441056e-14 6.072249392832e-14 ] [ -5.030834589312e-14 3.236396774016e-14 -1.12152363456e-15 ] [ 6.969468300480001e-14 -1.3954958367168e-13 -7.402055988096e-14 ] [ -5.896009964544001e-14 8.443470791616e-14 4.021463318208e-14 ] [ 9.196493803392e-14 -5.399335212096e-14 -1.0718561593152e-13 ] ] } "relaxed-potential-energy" { "source-value" -26.566249 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.256382305015138e-18 } }