{ "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" [ 10.462 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.28488 9.13454 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.191991 -0.318531 10.1183 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ 0.0545294 0.0434321 -0.359543 ] [ 0.191516 0.15742 2.66907 ] [ -0.0498374 -0.163282 5.10339 ] [ -0.111133 -0.220249 7.7821 ] [ -1.65417 2.19148 0.1266 ] [ -1.71344 2.3907 2.94287 ] [ -1.61433 2.26441 5.06214 ] [ -1.41461 2.06057 8.05302 ] [ -2.33376 4.84973 -0.0434069 ] [ -2.69129 4.47457 2.7521 ] [ -2.68026 4.39619 5.07393 ] [ -3.02986 4.44429 7.83548 ] [ -4.16501 6.98533 -0.0949225 ] [ -3.90346 6.82145 2.50094 ] [ -4.09006 6.66741 5.40742 ] [ -3.96471 6.32558 8.00081 ] [ 2.63774 0.0156257 0.034248 ] [ 2.44176 -0.182013 2.59774 ] [ 2.60543 0.145544 5.23229 ] [ 2.22014 -0.105892 7.78768 ] [ 1.22857 2.34236 0.458152 ] [ 1.55503 2.21409 2.48253 ] [ 1.26356 2.06401 5.30541 ] [ 1.14125 1.93244 8.12618 ] [ 0.0224506 4.74064 0.414951 ] [ -0.0695715 4.45966 2.72667 ] [ 0.101049 4.23528 4.98341 ] [ -0.257942 4.39535 8.15559 ] [ -1.34491 6.83813 0.215348 ] [ -1.54433 6.79131 2.84298 ] [ -1.66322 6.59203 5.71615 ] [ -1.45866 6.61807 7.97744 ] [ 5.27634 0.0118868 0.126835 ] [ 5.61544 -0.272893 2.49357 ] [ 5.34281 -0.00349882 5.50174 ] [ 5.48829 -0.359834 8.0679 ] [ 3.92799 2.12221 0.298465 ] [ 4.04745 2.1961 2.61107 ] [ 3.90092 1.92857 5.00422 ] [ 3.83669 2.1744 8.28071 ] [ 2.56674 4.58975 0.118735 ] [ 2.56675 4.52257 2.43174 ] [ 2.54307 4.42372 5.41372 ] [ 2.54242 4.37458 8.38507 ] [ 1.07852 7.09899 0.142502 ] [ 1.09704 6.41728 2.94603 ] [ 1.29322 6.68691 5.12132 ] [ 1.10132 6.44508 8.20371 ] [ 7.85322 0.0473156 0.299128 ] [ 7.84375 -0.0568653 2.61957 ] [ 7.84405 -0.116983 5.51813 ] [ 7.53737 -0.0425946 7.5592 ] [ 6.46841 2.29615 0.0233786 ] [ 6.17169 2.01146 2.69773 ] [ 6.52116 2.1771 5.38561 ] [ 6.48121 2.07127 8.16976 ] [ 5.21876 4.58442 0.205565 ] [ 5.2259 4.51189 2.85522 ] [ 5.51845 4.40239 5.3019 ] [ 5.1714 4.30614 7.95025 ] [ 4.00724 6.60465 0.582596 ] [ 3.82148 6.76846 3.00718 ] [ 3.67279 6.99373 5.45921 ] [ 3.89546 6.56654 8.12106 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ -0.552155 0.206949 7.687048 ] [ -1.850945 -0.188282 0.155103 ] [ 0.443486 0.259334 0.339524 ] [ -1.197117 0.044271 -6.886863 ] [ 1.386794 0.908295 1.994998 ] [ 0.34883 -1.440321 -3.880836 ] [ 1.534199 -0.826156 3.690078 ] [ 0.539659 0.144396 -2.008397 ] [ -1.405359 -1.888551 1.466678 ] [ -0.469881 1.131288 -1.455773 ] [ 1.478314 0.918312 1.357922 ] [ 3.321783 -3.409247 -1.488144 ] [ -0.036031 0.494371 4.654278 ] [ -1.36113 -0.487652 0.116419 ] [ -0.202065 0.64836 -0.07891 ] [ -0.768548 3.378359 -4.13801 ] [ 0.127499 -0.429679 0.981975 ] [ 1.891568 0.487574 0.239827 ] [ -0.405498 -2.800298 0.322997 ] [ 1.638751 -0.669872 -0.919862 ] [ -1.130311 -0.099274 -4.866141 ] [ 0.014317 0.061185 5.118554 ] [ -0.484695 0.870789 0.350647 ] [ 0.044379 1.690706 -0.836764 ] [ 0.5849 -0.723315 -0.359983 ] [ -0.633606 -1.058856 -0.619849 ] [ -0.211276 0.216522 1.863016 ] [ 0.017352 -0.632753 -1.059223 ] [ -0.132091 2.045933 1.451339 ] [ 0.86987 0.140093 0.093811 ] [ 0.489321 0.254788 -2.208808 ] [ 0.469881 0.456173 -0.03452 ] [ -0.890349 0.949569 1.705205 ] [ -2.167115 -0.962596 0.75002 ] [ -0.295504 -1.101943 -0.020838 ] [ -3.262607 -0.542098 -2.053608 ] [ -0.471746 0.125562 1.353632 ] [ -3.001872 0.384577 0.743097 ] [ 0.694896 2.150352 0.335258 ] [ 0.004928 -0.064223 -3.055446 ] [ -0.871886 -0.573372 10.624677 ] [ 0.615561 -0.091014 1.67577 ] [ 0.422569 -0.221843 0.132467 ] [ 0.633883 0.235396 -12.182688 ] [ 0.948078 -0.893891 3.944168 ] [ 0.476674 1.464964 -2.018307 ] [ -0.689309 0.332013 2.495048 ] [ 0.985255 -0.298239 -4.29582 ] [ 0.633036 -1.027904 -0.597165 ] [ 1.985682 0.176242 0.980713 ] [ 0.285557 0.572804 -4.771453 ] [ 2.654939 0.034087 3.998231 ] [ -1.275289 -0.080973 7.203153 ] [ 3.799303 0.707382 0.592882 ] [ -1.222686 -0.312907 -0.17003 ] [ 0.3078 0.812134 -7.255282 ] [ 0.639409 -0.744635 0.928204 ] [ -0.321312 0.074738 -0.337142 ] [ -2.21563 -0.094359 0.399176 ] [ -2.141176 -0.452693 -1.075243 ] [ -0.882 1.107233 -0.438687 ] [ 0.079489 0.226006 -0.30747 ] [ 0.69958 -1.794935 0.420942 ] [ -0.518353 0.201125 -0.745593 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -249.025405 } }