{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.2715165 20.0603947 -16.0785845 ] [ -15.7347997 12.8631161 7.770725 ] [ 24.2110314 -18.2720704 15.3544554 ] [ -13.0292376 -33.7246511 -9.1183594 ] [ 17.1665222 21.9086607 -17.5724201 ] [ -8.602944 -0.4459793 5.6456282 ] [ -7.2820887 -2.3894706 13.9985554 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.241547294045461e-09 3.214029565715744e-08 -2.576073239369457e-08 ] [ -2.520992842001021e-08 2.06089840558492e-08 1.245007402423965e-08 ] [ 3.87903487941203e-08 -2.927508424968303e-08 2.460054966967512e-08 ] [ -2.087514004155424e-08 -5.40328479822224e-08 -1.460922237109426e-08 ] [ 2.750380075588227e-08 3.510154425577408e-08 -2.815412088705194e-08 ] [ -1.37834358604105e-08 -7.145376137076762e-10 9.045293586291478e-09 ] [ -1.166719236185543e-08 -3.82835396294996e-09 2.242815837163453e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.3983902763671665 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.382915920082765e-20 } "relaxed-configuration-positions" { "source-value" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.2715165 20.0603947 -16.0785845 ] [ -15.7347997 12.8631161 7.770725 ] [ 24.2110314 -18.2720704 15.3544554 ] [ -13.0292376 -33.7246511 -9.1183594 ] [ 17.1665222 21.9086607 -17.5724201 ] [ -8.602944 -0.4459793 5.6456282 ] [ -7.2820887 -2.3894706 13.9985554 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.241547294045461e-09 3.214029565715744e-08 -2.576073239369457e-08 ] [ -2.520992842001021e-08 2.06089840558492e-08 1.245007402423965e-08 ] [ 3.87903487941203e-08 -2.927508424968303e-08 2.460054966967512e-08 ] [ -2.087514004155424e-08 -5.40328479822224e-08 -1.460922237109426e-08 ] [ 2.750380075588227e-08 3.510154425577408e-08 -2.815412088705194e-08 ] [ -1.37834358604105e-08 -7.145376137076762e-10 9.045293586291478e-09 ] [ -1.166719236185543e-08 -3.82835396294996e-09 2.242815837163453e-08 ] ] } "relaxed-potential-energy" { "source-value" -0.3983902763671665 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.382915920082765e-20 } }