{ "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" [ 10.5568 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.18164 9.41279 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.19777 -0.416057 10.1428 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ 0.170347 0.0395851 -0.319205 ] [ 0.227855 0.133127 2.4408 ] [ -0.444311 -0.236145 5.06773 ] [ -0.0192223 -0.305099 7.8376 ] [ -1.39298 1.939 0.0124242 ] [ -1.34227 2.19592 2.30102 ] [ -1.2658 2.0044 5.70179 ] [ -1.31478 1.98721 7.90881 ] [ -2.61745 4.56317 -0.303211 ] [ -2.67584 4.41075 2.74274 ] [ -2.94095 4.35732 5.52142 ] [ -2.59045 4.328 8.31475 ] [ -3.95908 6.82218 0.672691 ] [ -3.91652 6.71616 3.02153 ] [ -4.18768 6.72907 5.09251 ] [ -4.22384 6.66421 7.98011 ] [ 2.57977 -0.000876811 0.0103562 ] [ 2.19289 -0.301014 2.60846 ] [ 2.60916 -0.207874 5.20426 ] [ 2.84408 0.105556 7.67567 ] [ 1.1004 2.23439 0.284386 ] [ 1.31555 2.18302 2.63662 ] [ 1.26221 2.03515 5.1832 ] [ 1.32006 1.98522 7.88742 ] [ -0.0119844 4.54741 0.627071 ] [ 0.118844 4.59403 2.71885 ] [ -0.272434 4.24709 5.10605 ] [ 0.112545 4.318 7.88314 ] [ -1.6059 6.85287 -0.0668236 ] [ -1.18657 6.85496 2.73779 ] [ -1.48508 6.8235 5.63707 ] [ -1.34908 6.60262 8.08029 ] [ 5.50329 0.232111 -0.171836 ] [ 5.2765 0.0562673 2.51722 ] [ 5.27633 -0.164602 5.19235 ] [ 5.31964 -0.331343 7.50022 ] [ 3.73541 2.14247 -0.167954 ] [ 3.95236 2.19739 2.83858 ] [ 4.0036 2.11433 5.1109 ] [ 4.03554 1.61059 8.09438 ] [ 2.73928 4.64855 -0.295542 ] [ 2.61557 4.46237 2.94374 ] [ 2.75766 4.5643 5.1222 ] [ 2.71127 4.11747 8.3385 ] [ 1.30632 6.85992 0.284588 ] [ 1.2728 6.83667 2.73615 ] [ 1.40177 6.6926 5.45244 ] [ 1.46257 6.68829 7.72435 ] [ 7.94087 0.00288998 0.0313752 ] [ 7.90591 -0.0869976 2.67416 ] [ 7.90543 -0.141742 5.66366 ] [ 7.91265 -0.286775 7.80284 ] [ 6.64658 2.3077 0.341812 ] [ 6.62054 2.32307 2.37553 ] [ 6.55163 2.12148 5.03885 ] [ 6.66232 2.28584 8.21931 ] [ 5.27943 4.44959 0.194916 ] [ 5.19807 4.41159 2.89471 ] [ 5.32788 4.20402 5.49705 ] [ 5.43548 4.11274 8.00614 ] [ 4.29324 6.68044 0.401838 ] [ 3.94211 6.78559 2.87363 ] [ 3.92348 6.68764 5.26752 ] [ 3.92782 6.78657 7.98603 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ -0.046631 -1.015565 7.083041 ] [ -6.323524 -0.193036 0.074166 ] [ 1.8372 -0.216767 -0.485043 ] [ 0.007026 -0.270431 -6.886627 ] [ 0.431554 1.113435 0.530167 ] [ 0.111988 -0.077866 1.270516 ] [ -0.287826 0.653054 -2.161335 ] [ 0.057307 0.534951 0.824429 ] [ -4.957882 -4.09031 37.038531 ] [ 0.246874 0.465271 0.637438 ] [ 2.004795 0.430382 -0.432272 ] [ 5.791296 4.729739 -36.798927 ] [ 0.68931 0.129132 -1.155824 ] [ 0.688584 -0.26606 -3.634609 ] [ 0.216084 0.296577 4.739645 ] [ 0.624887 -0.127211 -0.307704 ] [ 0.439453 -0.917474 0.580465 ] [ 5.890036 -1.178507 0.593828 ] [ -0.054172 -0.209522 -0.083246 ] [ -4.659095 -6.016447 -1.797416 ] [ 0.659394 0.743833 -0.791994 ] [ 0.697681 0.957826 0.85299 ] [ 0.102753 0.174863 0.457118 ] [ -0.471628 0.541233 -0.484594 ] [ -0.191824 0.172404 -4.814619 ] [ -0.219244 -0.172502 3.559386 ] [ 0.135414 0.258583 1.067775 ] [ -0.216858 0.34475 -0.36958 ] [ -0.434488 0.392604 5.370905 ] [ -0.599524 0.317475 -0.074518 ] [ 0.049395 -0.195109 -0.90878 ] [ 1.19322 0.655512 -4.947396 ] [ -0.513621 -0.823454 0.886257 ] [ 0.147574 -0.571735 0.063684 ] [ -0.033165 -0.154641 -1.218071 ] [ 0.625819 -1.017688 1.326354 ] [ -1.597108 0.818063 8.115909 ] [ -0.238411 -0.24966 -1.564564 ] [ -0.366384 -0.258757 1.433336 ] [ 5.839445 5.825045 -6.172664 ] [ -4.889373 3.457579 41.111463 ] [ 0.014906 0.265432 -2.438673 ] [ -0.453062 -0.77096 2.539119 ] [ 4.373193 -3.037542 -41.071705 ] [ -0.016965 -0.048057 -0.408767 ] [ 0.645117 0.467845 0.358449 ] [ -0.660504 0.167905 -1.608673 ] [ -0.453718 -0.161143 1.578856 ] [ -0.356172 -1.466584 1.096333 ] [ 0.043925 -0.156704 -0.20208 ] [ -1.48551 -0.068634 -3.396696 ] [ 0.001446 -0.40137 2.382188 ] [ -0.046576 -0.169071 -4.450679 ] [ -0.159006 -0.350964 5.926616 ] [ 0.743477 -0.708312 -0.21274 ] [ 0.546387 -2.51085 -1.489556 ] [ -0.160193 -0.083652 1.088344 ] [ 0.139687 0.131679 -0.40909 ] [ -1.602484 0.5667 -0.07796 ] [ -1.487562 2.00476 -1.269302 ] [ -1.414391 0.699564 -0.551247 ] [ -0.235715 0.172946 -0.774263 ] [ 0.158414 0.452511 0.98799 ] [ -0.521025 0.014932 -0.124083 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -232.144291 } }