{ "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" [ [ 30.5594155 31.1928331 -87.2900774 ] [ -29.372813 -33.4692855 83.177344 ] [ -17.6890654 3.7327801 -89.2018738 ] [ 111.7622072 -29.2213837 66.3526327 ] [ -95.2597442 27.765056 26.9619746 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.896158146279742e-08 4.997642834108179e-08 -1.398541223903315e-07 ] [ -4.706043466345145e-08 -5.3623707184775e-08 1.332647970349801e-07 ] [ -2.834100726117786e-08 5.980573056080182e-09 -1.429171579113768e-07 ] [ 1.790627969401066e-07 -4.681781817728846e-08 1.063086377163243e-07 ] [ -1.52622936318057e-07 4.44845239649015e-08 4.319784571062149e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 52.490644 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.40992833204123e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2437145 0.8657498 0.9398239 ] [ 0.8759706 0.7210739 3.2608681 ] [ 2.4652846 2.8242314 0.475573 ] [ 2.8954479 1.6243713 2.4551494 ] [ 0.8727314 2.8278322 2.2096945 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2437145e-10 8.657498000000001e-11 9.398239e-11 ] [ 8.759706000000001e-11 7.210739e-11 3.2608681e-10 ] [ 2.4652846e-10 2.8242314e-10 4.755730000000001e-11 ] [ 2.895447900000001e-10 1.6243713e-10 2.4551494e-10 ] [ 8.727314e-11 2.8278322e-10 2.2096945e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.28e-05 5.9e-06 -9.5e-06 ] [ 2.4e-06 -1.41e-05 1.18e-05 ] [ 5.5e-06 -9.3e-06 2.27e-05 ] [ 2.05e-05 1.36e-05 -2.8e-06 ] [ -5.6e-06 3.8e-06 -2.22e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.65296272552e-14 9.452842140600001e-15 -1.5220678023e-14 ] [ 3.845223921599999e-15 -2.25906905394e-14 1.89056842812e-14 ] [ 8.811971486999999e-15 -1.49002426962e-14 3.636940959179999e-14 ] [ 3.2844620997e-14 2.17896022224e-14 -4.486094575199999e-15 ] [ -8.972189150399999e-15 6.088271209199999e-15 -3.55683212748e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.398784 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.268245508681305e-18 } }