{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 10.7824 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.41408 9.22677 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0173756 0.106927 10.4509 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ 0.022405 -0.0239433 0.16433 ] [ 0.260737 0.140579 2.4466 ] [ 0.147565 0.251436 4.82021 ] [ 0.206283 0.259925 7.58885 ] [ -1.36313 2.25168 -0.353447 ] [ -1.23486 2.38439 2.54685 ] [ -1.46418 2.43005 5.21638 ] [ -1.26736 2.27954 7.45399 ] [ -2.66055 4.76033 0.19569 ] [ -2.95693 4.89047 2.78222 ] [ -2.77415 4.63832 5.09309 ] [ -2.63678 4.64143 7.78966 ] [ -3.95749 6.78637 0.00870698 ] [ -4.02481 6.83839 2.37719 ] [ -4.20455 6.79805 5.0455 ] [ -4.01224 6.89579 7.71526 ] [ 2.58289 -0.00350672 0.0590625 ] [ 2.58727 0.047262 2.33313 ] [ 2.56917 -0.145283 5.15607 ] [ 2.95603 0.183487 7.77408 ] [ 1.3007 2.27961 -0.0341976 ] [ 1.37212 2.34476 2.3577 ] [ 1.26947 2.40224 5.45421 ] [ 1.24688 2.57138 7.84226 ] [ -0.0259455 4.56684 -0.0529383 ] [ 0.00852674 4.5283 2.2772 ] [ 0.0329517 4.67703 5.51476 ] [ 0.083585 4.67736 7.70573 ] [ -1.43327 6.78933 0.31623 ] [ -1.27499 6.9924 2.37892 ] [ -1.24578 6.81888 4.93902 ] [ -1.34125 6.82828 7.8195 ] [ 5.33356 -0.00584066 -0.124625 ] [ 5.19031 0.2899 2.78732 ] [ 5.46026 0.422198 5.42526 ] [ 5.34763 0.146838 7.40277 ] [ 4.08231 2.57294 -0.173128 ] [ 3.9608 2.26866 2.20217 ] [ 4.17287 2.11979 4.93866 ] [ 3.85816 2.2977 7.98184 ] [ 2.36966 4.6883 -0.185466 ] [ 2.5877 4.53437 2.3207 ] [ 2.50877 4.59761 5.30107 ] [ 2.63557 4.60316 7.67272 ] [ 1.35054 7.05944 -0.213264 ] [ 1.52604 7.11907 2.5156 ] [ 1.29568 6.68366 5.46853 ] [ 1.25512 6.89463 7.27073 ] [ 7.73075 0.155819 -0.306346 ] [ 7.71489 -0.0373306 2.82209 ] [ 7.90931 0.155788 5.08832 ] [ 8.08011 0.395472 7.93708 ] [ 6.47511 2.45814 -0.137605 ] [ 6.62493 2.43981 2.11224 ] [ 6.87448 2.09649 5.23574 ] [ 6.57009 2.39906 7.79228 ] [ 5.23681 4.60255 -0.0919086 ] [ 5.13016 4.55956 2.14097 ] [ 5.02538 4.812 5.01824 ] [ 5.22903 4.66206 7.77896 ] [ 3.60579 6.85041 -0.100719 ] [ 4.14774 6.71666 2.86044 ] [ 3.8916 6.91923 5.14267 ] [ 3.72623 6.9091 7.66845 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ -0.619193 -0.280006 -1.690475 ] [ -1.420965 -0.190984 0.880072 ] [ -0.564577 -0.376656 1.321754 ] [ 0.0843 -0.904435 0.00745 ] [ 0.078461 -0.095381 0.541383 ] [ -0.47887 -0.20443 -0.01668 ] [ 0.536682 0.056664 -2.306769 ] [ -0.266142 0.413961 2.235645 ] [ -0.276153 -1.616863 -0.571 ] [ 0.6099 -1.695509 -1.073808 ] [ 0.122201 0.038294 1.091581 ] [ -0.290616 -0.158646 -0.015849 ] [ -0.535319 0.812693 -1.200116 ] [ -1.000248 1.336932 0.804589 ] [ 0.176802 0.48661 0.424681 ] [ -0.235112 0.00257 0.017089 ] [ 0.288874 -0.237357 -2.018917 ] [ 1.122859 -0.493831 1.712045 ] [ 0.407959 0.005127 0.129822 ] [ -1.29807 -1.387895 0.005357 ] [ -0.017138 -0.216059 -0.711458 ] [ 0.124518 0.217631 0.570336 ] [ 0.420871 -0.04774 -0.966078 ] [ 0.079889 -1.240767 0.563481 ] [ -0.643169 0.071805 -1.031664 ] [ -0.260139 0.249752 1.047461 ] [ -1.240412 -0.945019 -2.638659 ] [ -0.836597 0.322952 2.639907 ] [ 0.446423 0.539251 -5.007531 ] [ 0.799006 0.494205 4.820671 ] [ -0.255231 0.314379 0.341393 ] [ -0.334558 0.581152 -0.120468 ] [ -0.633411 -0.042741 0.166849 ] [ 0.426077 -0.705835 -0.325077 ] [ -0.219094 -2.803149 -5.827487 ] [ 0.254195 -1.443889 6.777195 ] [ -1.286956 -0.962503 0.070237 ] [ -0.189888 0.263149 1.139024 ] [ -1.724363 2.107549 -0.802613 ] [ 0.600627 1.147108 -0.858002 ] [ 0.9213 -0.400158 -0.029089 ] [ -0.253757 0.678087 0.533478 ] [ 0.63494 -0.508601 -1.180778 ] [ 0.705228 0.196637 0.766199 ] [ -1.664614 0.057662 0.534865 ] [ -0.736554 -1.826391 -0.707905 ] [ 0.477842 -0.143699 -14.599911 ] [ -0.519253 2.289635 14.475412 ] [ 0.820973 0.069738 1.662593 ] [ 0.555777 1.774047 -1.286191 ] [ 1.572359 -1.928931 1.021632 ] [ 0.278379 -0.791637 -1.852759 ] [ 1.108498 -0.408447 -1.314381 ] [ 0.733453 -0.11515 2.127619 ] [ -0.107291 4.274702 0.075422 ] [ -0.031381 0.44668 -0.550823 ] [ 0.329783 1.523547 -2.029708 ] [ 0.282133 -0.022272 2.365031 ] [ 0.428969 -1.194475 0.230589 ] [ 0.32331 0.39387 -0.353763 ] [ 1.935793 0.384347 -0.262722 ] [ -0.120546 0.295912 -1.50656 ] [ -0.008623 0.978973 1.004171 ] [ 0.379858 0.563832 0.752206 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -253.211976 } }