{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3054284 -3.6030833 -0.5368738 ] [ -4.1500899 6.1491966 -2.4346265 ] [ -4.6574866 -3.1143323 1.3070975 ] [ 1.7521466 -0.108293 -1.2815037 ] [ 0.6793355 1.4126059 3.100615 ] [ -1.1727686 -1.2904023 0.2445395 ] [ 5.2434346 0.5543084 -0.3992479 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.693703483408351e-09 -5.772775826054913e-09 -8.601666506800551e-10 ] [ -6.64917701199821e-09 9.85209902922285e-09 -3.900701658680131e-09 ] [ -7.462116142209283e-09 -4.989710400462292e-09 2.094201055606128e-09 ] [ 2.80724831873421e-09 -1.735045127962944e-10 -2.053195267608697e-09 ] [ 1.088415455779479e-09 2.263244147384143e-09 4.967732863101792e-09 ] [ -1.878982432528347e-09 -2.067452396486548e-09 3.917954697621216e-10 ] [ 8.400908328813798e-09 8.880999591930547e-10 -6.396656512834963e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.549998 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.132254973228676e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7020613 1.9102935 3.420284 ] [ 1.6613395 5.4647658 2.1631727 ] [ 0.6998342 3.290807 2.9005392 ] [ 2.6018306 3.3180599 1.2607542 ] [ 2.6169519 4.2914725 4.1503576 ] [ 4.7160252 2.7596587 2.3712873 ] [ 4.1165949 5.1085456 2.3354949 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7020613e-10 1.9102935e-10 3.420284e-10 ] [ 1.6613395e-10 5.4647658e-10 2.1631727e-10 ] [ 6.998342e-11 3.290807e-10 2.9005392e-10 ] [ 2.6018306e-10 3.3180599e-10 1.2607542e-10 ] [ 2.6169519e-10 4.2914725e-10 4.150357600000001e-10 ] [ 4.7160252e-10 2.7596587e-10 2.3712873e-10 ] [ 4.1165949e-10 5.1085456e-10 2.3354949e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.9e-06 1.89e-05 -2.9e-05 ] [ 4.7e-06 -6e-07 -6.5e-06 ] [ 9e-07 -4.4e-06 -3e-06 ] [ -1.08e-05 -2.24e-05 -7.56e-05 ] [ 5.5e-06 3.66e-05 0.0001173 ] [ 3.43e-05 -9.9e-06 1.15e-05 ] [ -2.56e-05 -1.82e-05 -1.47e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.425937192512e-14 3.028113813312e-14 -4.64631220032e-14 ] [ 7.53023011776e-15 -9.6130597248e-16 -1.04141480352e-14 ] [ 1.44195895872e-15 -7.04957713152e-15 -4.8065298624e-15 ] [ -1.730350750464e-14 -3.588875630592e-14 -1.2112455253248e-13 ] [ 8.8119714144e-15 5.863966432128e-14 1.8793531761984e-13 ] [ 5.495465809344e-14 -1.586154854592e-14 1.84250311392e-14 ] [ -4.101572149248001e-14 -2.915961449856e-14 -2.355199632576e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.385491 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.586551032532881e-18 } }