{ "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" [ 10.6656 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -4.97231 9.23397 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.327096 -0.195415 10.3337 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ -0.269864 0.23092 0.150138 ] [ -0.0875565 -0.0678843 2.65688 ] [ -0.185583 -0.124002 5.16787 ] [ -0.247475 -0.149113 7.80081 ] [ -1.25185 2.31497 0.102783 ] [ -1.33009 2.23681 2.65045 ] [ -1.41558 2.25796 5.21533 ] [ -1.14297 2.1204 7.89381 ] [ -2.51993 4.49406 -0.372763 ] [ -2.6487 4.51515 3.14803 ] [ -2.69338 4.55335 5.23236 ] [ -2.78635 4.54035 7.63353 ] [ -3.83312 6.93047 0.249743 ] [ -3.90752 6.87022 3.16907 ] [ -3.86715 6.9359 5.69365 ] [ -4.35586 6.71649 8.22945 ] [ 2.73978 0.250479 0.264014 ] [ 2.45161 -0.251013 3.08769 ] [ 2.36726 -0.197814 5.7056 ] [ 2.37282 -0.20985 8.20905 ] [ 1.27975 2.31073 0.316546 ] [ 1.17099 2.43543 2.59249 ] [ 1.14626 2.27147 4.94613 ] [ 0.981892 2.30646 7.62899 ] [ -0.260907 4.57694 0.0580022 ] [ -0.0623344 4.12569 2.85372 ] [ -0.0164066 4.50643 5.53346 ] [ -0.162872 4.45286 8.24652 ] [ -1.19615 6.91341 0.10063 ] [ -1.34338 7.21594 2.72001 ] [ -1.37111 6.78307 5.60835 ] [ -1.09603 6.92252 7.93792 ] [ 5.33237 -0.106624 0.192363 ] [ 5.19552 -0.238581 2.97809 ] [ 4.99624 -0.0362326 5.00484 ] [ 5.05364 -0.386067 7.87787 ] [ 3.99803 2.21015 0.233408 ] [ 3.97567 2.14844 2.78868 ] [ 3.90325 2.05717 5.26576 ] [ 3.47646 2.12088 7.88982 ] [ 2.68309 4.51814 0.690749 ] [ 2.7196 4.49899 2.723 ] [ 2.53387 4.44411 5.25645 ] [ 2.293 4.34024 8.08897 ] [ 1.40598 6.86991 0.345363 ] [ 1.60283 6.83551 2.85126 ] [ 1.40119 6.78628 5.44533 ] [ 1.15342 6.62457 8.01249 ] [ 7.8877 -0.147419 0.331857 ] [ 7.85387 -0.183106 2.82822 ] [ 7.95477 -0.0834911 5.40081 ] [ 7.66753 -0.299617 8.03622 ] [ 6.65006 2.14477 0.31074 ] [ 6.49847 2.32513 2.7962 ] [ 6.46599 2.06218 5.48338 ] [ 6.50653 2.09269 8.21289 ] [ 5.30681 4.27758 0.277018 ] [ 5.13302 4.46818 2.7415 ] [ 5.18495 4.37346 5.46131 ] [ 5.10463 4.3449 8.43696 ] [ 4.15322 6.44677 0.28988 ] [ 3.78088 6.40766 2.84763 ] [ 4.20867 6.52345 5.40704 ] [ 3.7067 6.59139 8.45526 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ 0.743281 -1.607064 -0.066177 ] [ -0.062028 0.01365 0.092757 ] [ -0.213651 0.055814 0.489811 ] [ 0.064799 -0.256033 0.311031 ] [ -1.022195 0.537945 0.123691 ] [ -1.449833 -1.292348 0.058569 ] [ -0.26596 -0.060441 0.479908 ] [ -3.514703 -0.136709 0.064313 ] [ -1.72251 0.358446 0.86409 ] [ -0.169631 0.026116 -4.351285 ] [ -0.262815 -0.02158 4.025676 ] [ -0.202096 -0.1804 0.403463 ] [ 0.214567 -0.061261 0.640998 ] [ -0.240723 -0.603132 -0.736558 ] [ -0.767552 -0.540701 -0.281194 ] [ 0.052309 -0.263373 -0.886681 ] [ -0.714021 -1.227342 0.421731 ] [ -1.41429 2.696567 0.00609 ] [ 0.248776 0.661978 -0.677445 ] [ -0.322792 0.217595 -0.554281 ] [ 0.34072 0.094759 -1.350715 ] [ 2.170007 -3.166601 0.330364 ] [ 0.248807 -0.478217 1.467758 ] [ 2.682091 -0.524021 -0.396914 ] [ 1.269036 0.27452 3.108946 ] [ -1.576515 4.768398 0.555391 ] [ -0.133672 0.169302 -0.464678 ] [ -0.045758 0.206866 -2.655966 ] [ -0.277097 0.108741 0.816448 ] [ 1.125323 -3.114367 -0.737526 ] [ 0.506508 -0.177965 -1.195101 ] [ -2.622938 -1.110422 0.618555 ] [ -0.371818 0.254657 -0.203847 ] [ 0.88057 0.174309 -5.172319 ] [ 0.050152 -0.308425 5.731211 ] [ 0.92819 2.188428 0.313768 ] [ 0.262326 0.51057 -0.131315 ] [ -0.337313 -0.35538 -0.215131 ] [ -0.714338 0.881716 0.742711 ] [ 0.698017 -0.242466 0.064297 ] [ -0.627561 -0.27653 -6.158305 ] [ -1.562066 -2.329353 5.371722 ] [ 0.017411 0.016587 0.672359 ] [ 1.044591 0.35103 -0.29924 ] [ 0.233028 -0.318802 -0.088887 ] [ -2.380574 0.314591 0.098991 ] [ 0.083909 -0.025012 -0.097404 ] [ 1.870338 0.019007 0.007882 ] [ 0.199613 -0.113529 -0.292792 ] [ 0.116274 0.311701 0.187271 ] [ -0.268834 -0.239363 0.13377 ] [ -0.031044 0.070393 -0.186557 ] [ 0.443405 -0.265885 0.233817 ] [ 0.768685 -0.164851 0.439517 ] [ 0.323566 -0.028311 -0.022518 ] [ 0.008666 0.123344 -1.063682 ] [ 0.435983 0.155258 2.079334 ] [ 1.569377 -0.339653 0.761778 ] [ 0.453501 -0.739338 -0.184073 ] [ 0.11626 0.075774 -3.155071 ] [ 0.204518 0.682984 2.211832 ] [ 3.397048 3.072465 0.517123 ] [ -0.615421 0.884828 -0.211734 ] [ 0.138101 0.290537 -2.609579 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -256.611679 } }