{ "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" [ [ 712.4930018 893.8857653 -1877.528846 ] [ -696.7667745 -822.6222847 1921.210444 ] [ -279.8698936 88.1079189 -1523.4460354 ] [ 2071.3154957 -518.2564734 1107.1771838 ] [ -1807.1718294 358.8850738 372.5872536 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.141539629967572e-06 1.432162874829576e-06 -3.008132821938803e-06 ] [ -1.116343436254126e-06 -1.317986192295421e-06 3.078118457013588e-06 ] [ -4.484010003917036e-07 1.411644477689225e-07 -2.440829620968329e-06 ] [ 3.318613261511303e-06 -8.303384052597371e-07 1.773893398967544e-06 ] [ -2.895408454833046e-06 5.749972747964427e-07 5.969505869260006e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 1133.3385 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.815808448152541e-16 } "relaxed-configuration-positions" { "source-value" [ [ 0.5426045 1.4218781 0.791287 ] [ 0.3242553 0.0949914 3.0234972 ] [ 2.9544691 1.8192939 0.1049486 ] [ 3.4602985 2.9368765 2.3170911 ] [ 1.0715215 2.5902187 3.1042851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.426045000000001e-11 1.4218781e-10 7.91287e-11 ] [ 3.242553e-11 9.49914e-12 3.0234972e-10 ] [ 2.9544691e-10 1.8192939e-10 1.049486e-11 ] [ 3.4602985e-10 2.9368765e-10 2.3170911e-10 ] [ 1.0715215e-10 2.5902187e-10 3.1042851e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.94e-05 -3.17e-05 -6.5e-06 ] [ -3.89e-05 1.44e-05 1.64e-05 ] [ -1.99e-05 -1.4e-05 -0.0001166 ] [ 3e-06 3.67e-05 8.28e-05 ] [ 1.64e-05 -5.4e-06 2.39e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.312575885952001e-14 -5.078899887936e-14 -1.04141480352e-14 ] [ -6.232467054911999e-14 2.307134333952e-14 2.627569658112e-14 ] [ -3.188331475392e-14 -2.24304726912e-14 -1.8681379398528e-13 ] [ 4.8065298624e-15 5.879988198335999e-14 1.3266022420224e-13 ] [ 2.627569658112e-14 -8.65175375232e-15 3.829202123712e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.178089 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.592015596502165e-18 } }