{ "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" [ 10.4623 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.17702 9.10902 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.273433 0.71284 10.6008 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ -0.0430826 0.115296 0.202802 ] [ -0.136623 0.0595937 3.05988 ] [ -0.303173 0.402205 4.89357 ] [ -0.0276834 0.334505 7.92467 ] [ -1.31707 2.22617 -0.102221 ] [ -1.2854 2.14432 2.82217 ] [ -1.38223 2.40391 4.88676 ] [ -1.52216 2.48021 7.77842 ] [ -2.6326 4.53463 0.181318 ] [ -2.52911 4.73367 2.17148 ] [ -2.70272 5.13572 5.29351 ] [ -2.79845 4.92805 7.71147 ] [ -3.84074 6.90959 0.133047 ] [ -4.02284 7.03418 2.36212 ] [ -3.94316 6.99519 4.93003 ] [ -3.82567 7.50166 7.75349 ] [ 2.80879 0.0390403 -0.289936 ] [ 2.50906 0.149879 2.92328 ] [ 2.47609 0.201173 5.15515 ] [ 2.39848 0.755178 7.96573 ] [ 1.30067 2.26939 -0.0162389 ] [ 1.3322 2.23612 2.56102 ] [ 1.43269 2.32698 5.33682 ] [ 0.997156 2.84236 7.7662 ] [ 0.335137 4.35968 -0.417904 ] [ -0.0835215 5.02199 2.22868 ] [ -0.0747447 4.77134 5.08816 ] [ -0.136421 4.86033 7.73109 ] [ -1.12424 6.89488 -0.0331194 ] [ -1.67836 7.07189 2.72226 ] [ -1.39063 6.95309 5.06575 ] [ -1.54387 7.49711 7.4399 ] [ 5.1208 -0.138776 0.333694 ] [ 5.30155 0.134077 2.4594 ] [ 5.27699 0.00484285 4.9212 ] [ 4.85928 0.233865 7.63149 ] [ 3.97831 2.27292 -0.000362991 ] [ 3.94969 2.3684 2.5422 ] [ 3.84843 2.64726 5.29769 ] [ 3.63978 2.5476 7.93726 ] [ 2.87518 4.1926 -0.107875 ] [ 2.32498 4.73478 2.67503 ] [ 2.54136 4.68928 4.67454 ] [ 2.25924 4.7252 7.75096 ] [ 1.06839 6.97292 -0.00496059 ] [ 1.32109 7.03447 2.67824 ] [ 1.24084 7.04082 5.05633 ] [ 1.38535 6.77454 7.91628 ] [ 8.05661 0.321403 -0.170494 ] [ 7.81102 0.0822359 2.86153 ] [ 7.82491 0.192494 5.73545 ] [ 7.56629 0.435652 7.81187 ] [ 6.5856 2.29276 0.0590417 ] [ 6.6217 2.25416 3.01817 ] [ 6.54816 2.54821 5.14252 ] [ 6.36274 2.84257 8.10785 ] [ 4.9263 4.65842 0.264935 ] [ 5.31998 4.33999 2.89505 ] [ 4.93083 4.73588 5.44301 ] [ 4.88796 4.45959 7.8083 ] [ 3.90175 6.71856 0.0507464 ] [ 3.88371 7.02909 2.28992 ] [ 3.98695 6.94934 4.69665 ] [ 3.91958 7.1469 7.65695 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ 0.763457 -0.70631 -0.282409 ] [ 1.645574 -2.472457 -11.364958 ] [ -0.03831 0.5816 11.25235 ] [ -0.90628 0.245595 0.334564 ] [ 1.203 2.357301 -0.107825 ] [ 0.070125 0.889015 -4.765361 ] [ -0.603248 2.412345 4.779346 ] [ 0.141776 0.504234 0.146886 ] [ -0.312042 -0.550956 -6.478192 ] [ -0.127811 0.025526 6.563061 ] [ -0.531723 -2.88393 0.392917 ] [ 0.324012 0.281551 0.208516 ] [ 0.013746 0.054756 -2.272609 ] [ -0.592333 -0.170283 1.992152 ] [ -1.109385 1.260599 0.272484 ] [ -0.992976 -1.161715 0.140514 ] [ -0.645712 -0.334613 0.567736 ] [ 0.074313 0.456669 -1.794714 ] [ 0.301067 -0.806006 1.521735 ] [ -1.196411 -1.997856 -0.320302 ] [ 0.009854 -1.483866 0.548118 ] [ -0.182903 0.646426 -0.445976 ] [ -0.908843 0.765832 -0.081742 ] [ -0.234842 -2.111851 -0.037115 ] [ -0.723657 0.86029 0.604995 ] [ 0.053662 -0.370556 0.041376 ] [ -0.022922 -0.354222 0.068842 ] [ -2.156841 1.199743 -0.464164 ] [ -2.948424 -1.11199 -0.132073 ] [ 1.343459 -0.357443 -0.974895 ] [ 1.387663 1.24643 0.152802 ] [ 0.306473 -1.497963 0.484855 ] [ 0.444866 1.366067 -2.539839 ] [ -0.332498 0.590504 2.79475 ] [ -0.583847 1.087772 1.004286 ] [ 1.875262 1.497858 -0.141111 ] [ 1.020159 -1.735085 0.259185 ] [ -0.246072 -0.407928 -0.005911 ] [ 0.247539 -1.067834 -0.089394 ] [ 1.150293 0.618936 -0.26873 ] [ -3.947189 1.468108 -0.931515 ] [ 0.045591 -0.518242 -5.997028 ] [ 0.048482 0.018752 6.124329 ] [ 2.618968 -0.071376 0.27487 ] [ 3.030065 -0.974647 -0.304103 ] [ -0.134814 -0.087455 -0.881201 ] [ 0.627558 -0.577562 1.186936 ] [ -0.47286 2.262292 -0.11708 ] [ -1.640784 -2.555927 -0.052289 ] [ -0.009317 -0.354887 -0.564601 ] [ 0.063388 -0.561015 -4.190497 ] [ -0.848075 -0.019353 3.905903 ] [ -0.562146 0.159521 -0.378495 ] [ -0.030277 0.071408 -3.37063 ] [ -0.108315 0.138691 3.005841 ] [ 1.220549 -1.479212 0.448438 ] [ 4.002321 -0.137269 0.77971 ] [ 0.111887 1.012255 -0.61467 ] [ 0.713653 0.641646 -0.742794 ] [ -0.725646 3.186483 0.009596 ] [ -0.371268 0.999899 -1.984587 ] [ -0.360918 -0.136395 1.349287 ] [ -0.268787 -0.080285 1.313809 ] [ 0.018712 0.228381 0.166618 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -249.122154 } }