{ "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" [ [ -38.9629956 -37.7897416 -14.6778099 ] [ -7.6497225 -13.2014765 10.2304241 ] [ 26.7485124 10.670558 -41.3688054 ] [ 38.9043427 12.6871249 15.4076589 ] [ -19.040137 27.6335351 30.4085324 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.242560062665328e-08 -6.054584049759318e-08 -2.351644386632679e-08 ] [ -1.225620654510773e-08 -2.115109700834061e-08 1.639094631388888e-08 ] [ 4.28558412084589e-08 1.709611855849041e-08 -6.62801328423048e-08 ] [ 6.233162832153114e-08 2.032701489994954e-08 2.468579087084104e-08 ] [ -3.050566235822905e-08 4.427380388727619e-08 4.871983968411932e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 29.366247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.704991438403814e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6053061 0.8636709 0.7702309 ] [ 0.2551596 0.417286 3.104026 ] [ 2.5275329 2.2072259 0.3704598 ] [ 3.6754903 2.8088753 2.3924724 ] [ 1.2896599 2.5662005 2.7039199 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.053061e-11 8.636709000000001e-11 7.702309000000001e-11 ] [ 2.551596e-11 4.17286e-11 3.104026e-10 ] [ 2.5275329e-10 2.2072259e-10 3.704598e-11 ] [ 3.6754903e-10 2.8088753e-10 2.3924724e-10 ] [ 1.2896599e-10 2.5662005e-10 2.7039199e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.19e-05 -0.0002162 -5.34e-05 ] [ -0.0001468 -6.83e-05 4.47e-05 ] [ 0.0001419 0.0001518 -0.0001328 ] [ 4.04e-05 3e-06 -2.94e-05 ] [ 4.64e-05 0.0001297 0.0001709 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.3121826524352e-13 -3.4639058541696e-13 -8.555623155072e-14 ] [ -2.3519952793344e-13 -1.0942866320064e-13 7.161729494976001e-14 ] [ 2.2734886249152e-13 2.4321041103744e-13 -2.1276905524224e-13 ] [ 6.472793548032e-14 4.8065298624e-15 -4.710399265152e-14 ] [ 7.434099520512001e-14 2.0780230771776e-13 2.7381198449472e-13 ] ] } "relaxed-potential-energy" { "source-value" -15.983578 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.560851498833322e-18 } }