{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.9541135 0.9980995 1.487518 ] [ 0.5060444 0.4713921 2.728449 ] [ 2.547937 2.415228 0.679434 ] [ 2.841188 2.325305 2.080908 ] [ 1.503866 2.653234 2.3648 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.541135e-11 9.980995000000001e-11 1.487518e-10 ] [ 5.060444e-11 4.713921e-11 2.728449e-10 ] [ 2.547937e-10 2.415228e-10 6.79434e-11 ] [ 2.841188e-10 2.325305e-10 2.080908e-10 ] [ 1.503866e-10 2.653234e-10 2.3648e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.1659106 -21.270649 -62.0047735 ] [ -31.2400936 -38.3249201 56.4095127 ] [ 11.1315602 12.9063218 -80.0184468 ] [ 101.0074251 -0.7139743 47.022733 ] [ -62.7329812 47.4032215 38.5909747 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.91049972588629e-08 -3.40793365370429e-08 -9.934259847969939e-08 ] [ -5.005214759752371e-08 -6.1403290978248e-08 9.037800243866068e-08 ] [ 1.783472550546777e-08 2.067820704848137e-08 -1.282036846956886e-07 ] [ 1.618317350224271e-07 -1.143912931312045e-09 7.533872345872064e-08 ] [ -1.005093158317259e-07 7.594833323790391e-08 6.182955743822429e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 84.462073 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.353231587049029e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.8613706 0.4988954 0.5545502 ] [ 0.0967353 0.8998678 2.7423975 ] [ 2.7443703 1.858216 0.1821489 ] [ 3.1434892 3.0992993 2.1398384 ] [ 1.5071835 2.50698 3.722174 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.613706000000001e-11 4.988954e-11 5.545502e-11 ] [ 9.67353e-12 8.998678e-11 2.7423975e-10 ] [ 2.7443703e-10 1.858216e-10 1.821489e-11 ] [ 3.1434892e-10 3.0992993e-10 2.1398384e-10 ] [ 1.5071835e-10 2.50698e-10 3.722174e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-07 -1.6e-06 -5.5e-06 ] [ 1.3e-06 9.6e-06 2.45e-05 ] [ 8.7e-06 1.02e-05 3.4e-06 ] [ 5.3e-06 -3e-06 -8.7e-06 ] [ -1.55e-05 -1.51e-05 -1.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.2043532416e-16 -2.56348259328e-15 -8.8119714144e-15 ] [ 2.08282960704e-15 1.538089555968e-14 3.92533272096e-14 ] [ 1.393893660096e-14 1.634220153216e-14 5.44740051072e-15 ] [ 8.491536090240001e-15 -4.8065298624e-15 -1.393893660096e-14 ] [ -2.48337376224e-14 -2.419286697408e-14 -2.194981970496e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.83321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.735671579021677e-18 } }