{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9603904 -3.3394187 -2.3398446 ] [ -4.7260555 -6.3197561 6.5647425 ] [ -0.4220983 10.2004937 -5.4952257 ] [ 4.2925147 -0.8944763 -1.6069642 ] [ 2.0972411 2.4331006 4.0932784 ] [ -4.6495487 -1.7159399 4.4737737 ] [ 4.368337 -0.3640033 -5.6897599 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.538715058397913e-09 -5.350338612282655e-09 -3.748844345311076e-09 ] [ -7.571975693087186e-09 -1.012536555599897e-08 1.051787704172674e-08 ] [ -6.762760335111221e-10 1.63429926614042e-08 -8.804322215096293e-09 ] [ 6.877366753441518e-09 -1.433109027526774e-09 -2.574640492914503e-09 ] [ 3.360150686284457e-09 3.89825692949138e-09 6.558155008936905e-09 ] [ -7.449398285785076e-09 -2.749238813128296e-09 7.167775687943725e-09 ] [ 6.998847470837658e-09 -5.831975819588921e-10 -9.116000364850175e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.197886 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.794099129939573e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9248974 1.0766885 1.7169319 ] [ 2.1052015 2.2744372 3.8662063 ] [ 2.7571027 3.6694993 1.8478417 ] [ 4.9984465 2.6037603 1.3475896 ] [ 4.3190246 2.3885411 5.1683346 ] [ 3.1642473 0.1209958 4.8252737 ] [ 5.034764 0.8814424 3.2123322 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9248974e-10 1.0766885e-10 1.7169319e-10 ] [ 2.1052015e-10 2.2744372e-10 3.8662063e-10 ] [ 2.7571027e-10 3.6694993e-10 1.8478417e-10 ] [ 4.9984465e-10 2.6037603e-10 1.3475896e-10 ] [ 4.3190246e-10 2.3885411e-10 5.1683346e-10 ] [ 3.1642473e-10 1.209958e-11 4.825273700000001e-10 ] [ 5.034764e-10 8.814424e-11 3.2123322e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.4e-06 2.2e-06 1.1e-06 ] [ 3.1e-06 -9.2e-06 2.6e-06 ] [ 4.1e-06 -1e-07 2.8e-06 ] [ -4.6e-06 7e-07 -1e-05 ] [ -6.3e-06 -1.54e-05 -3.6e-06 ] [ 5.7e-06 2.06e-05 -4.7e-06 ] [ -6.6e-06 1.2e-06 1.18e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.0495771896e-15 3.5247885948e-15 1.7623942974e-15 ] [ 4.9667475654e-15 -1.47400250328e-14 4.165659248399999e-15 ] [ 6.568924199399999e-15 -1.602176634e-16 4.486094575199999e-15 ] [ -7.370012516399999e-15 1.1215236438e-15 -1.602176634e-14 ] [ -1.00937127942e-14 -2.46735201636e-14 -5.767835882399999e-15 ] [ 9.1324068138e-15 3.300483866039999e-14 -7.530230179799999e-15 ] [ -1.05743657844e-14 1.9226119608e-15 1.89056842812e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.090983 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.578059698069122e-18 } }