{ "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" [ [ 2.735268 2.856882 0.3239211 ] [ 1.752307 5.080999 1.048158 ] [ 2.257155 3.165316 3.087528 ] [ 4.821596 2.368521 1.002197 ] [ 4.597336 2.893151 3.290106 ] [ 3.849033 4.748793 0.5493667 ] [ 3.5339 4.902962 2.909562 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.735268e-10 2.856882e-10 3.239211e-11 ] [ 1.752307e-10 5.080999e-10 1.048158e-10 ] [ 2.257155e-10 3.165316e-10 3.087528e-10 ] [ 4.821596000000001e-10 2.368521e-10 1.002197e-10 ] [ 4.597336e-10 2.893151e-10 3.290106e-10 ] [ 3.849033e-10 4.748793e-10 5.493667e-11 ] [ 3.5339e-10 4.902962e-10 2.909562e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7709886 -2.2750812 1.5939514 ] [ -2.9338929 -0.3858032 1.6246095 ] [ -2.7593798 -3.4794349 -2.8119716 ] [ 1.2874564 0.1524698 0.6496901 ] [ 0.7288438 -1.2685877 0.0227644 ] [ 5.3273748 2.0472962 -0.9997032 ] [ 2.1205864 5.209141 -0.0793405 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.041789772223323e-09 -3.645081909061609e-09 2.553791667771429e-09 ] [ -4.700614612311112e-09 -6.181248672698266e-10 2.602911358829578e-09 ] [ -4.42101380346778e-09 -5.574669250375586e-09 -4.505275155873569e-09 ] [ 2.062732544379333e-09 2.442835489380518e-10 1.040918288985214e-09 ] [ 1.167736496575031e-09 -2.032501554374444e-09 3.647258946653952e-11 ] [ 8.535395354799076e-09 3.280130107492681e-09 -1.601701094778947e-09 ] [ 3.397553952466437e-09 8.345963924650733e-09 -1.271174941825824e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.537973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.130328355842164e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5585761 2.7434112 0.4815864 ] [ 1.7298502 4.9663864 1.2644326 ] [ 2.1198323 3.0825803 2.8583145 ] [ 4.9094855 2.5327001 0.9877269 ] [ 4.4854819 2.8604882 3.2846232 ] [ 4.0910604 4.7459417 0.4787137 ] [ 3.6523086 5.085116 2.8554415 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5585761e-10 2.7434112e-10 4.815864e-11 ] [ 1.7298502e-10 4.9663864e-10 1.2644326e-10 ] [ 2.1198323e-10 3.0825803e-10 2.8583145e-10 ] [ 4.9094855e-10 2.5327001e-10 9.877269e-11 ] [ 4.4854819e-10 2.8604882e-10 3.2846232e-10 ] [ 4.0910604e-10 4.745941700000001e-10 4.787137e-11 ] [ 3.6523086e-10 5.085116e-10 2.8554415e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.6e-06 -1.22e-05 -8.3e-06 ] [ 6.1e-06 -1.23e-05 6.1e-06 ] [ -7.6e-06 6.6e-06 6.6e-06 ] [ 1.56e-05 -1.9e-06 -8e-06 ] [ -9.8e-06 -2.41e-05 1.11e-05 ] [ -6.3e-06 1.65e-05 -3.2e-06 ] [ 7.5e-06 2.74e-05 -4.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.972189076479999e-15 -1.954655477376e-14 -1.329806595264e-14 ] [ 9.77327738688e-15 -1.970677243584e-14 9.77327738688e-15 ] [ -1.217654231808e-14 1.057436569728e-14 1.057436569728e-14 ] [ 2.499395528448e-14 -3.04413557952e-15 -1.28174129664e-14 ] [ -1.570133088384e-14 -3.861245656128e-14 1.778416049088e-14 ] [ -1.009371271104e-14 2.64359142432e-14 -5.126965186560001e-15 ] [ 1.2016324656e-14 4.389963940992e-14 -6.72914180736e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.957559 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.517988767963663e-18 } }