{ "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" [ 10.5065 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.29456 9.10679 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.300197 -0.289307 10.1274 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ 0.166777 0.2889 0.160089 ] [ -0.0160537 -0.0748787 2.59637 ] [ 0.0483621 0.13793 5.05648 ] [ 0.0183163 -0.442995 7.92158 ] [ -1.28138 2.28063 0.541279 ] [ -1.16912 2.21695 2.36717 ] [ -1.58624 1.92524 5.15521 ] [ -1.51209 2.14614 7.67964 ] [ -2.65807 4.57561 0.140484 ] [ -2.66555 4.48385 3.11478 ] [ -2.78114 4.40833 5.23162 ] [ -2.75161 4.49924 7.7752 ] [ -3.83227 6.80964 0.234641 ] [ -3.99993 6.82728 2.54703 ] [ -4.02723 6.74868 5.24999 ] [ -3.93779 6.77179 7.95309 ] [ 2.64688 -0.115663 0.138059 ] [ 2.27053 -0.147588 2.29968 ] [ 2.66535 -0.248904 5.07467 ] [ 2.77125 -0.540283 7.76229 ] [ 1.09465 2.18677 -0.304932 ] [ 1.22676 2.35159 2.83509 ] [ 1.23658 1.78229 5.20326 ] [ 1.22871 2.00159 8.22219 ] [ -0.420408 4.37846 0.346732 ] [ 0.0513518 4.60394 2.65419 ] [ -0.0697398 4.43727 5.58738 ] [ -0.0613428 4.34785 8.06976 ] [ -1.06131 6.6025 0.34956 ] [ -1.46425 6.83203 3.09109 ] [ -1.36532 6.73501 5.63228 ] [ -1.39436 6.63365 8.01046 ] [ 5.38113 0.0419127 0.169106 ] [ 5.2671 -0.0580278 2.60097 ] [ 5.14759 -0.113649 4.87738 ] [ 5.26865 -0.11854 7.95327 ] [ 3.98619 2.46757 -0.0422091 ] [ 3.94606 2.26797 2.27804 ] [ 3.6551 1.95206 4.9426 ] [ 3.87811 1.67697 8.05328 ] [ 2.65067 4.50586 0.0479013 ] [ 2.59512 4.6275 2.54523 ] [ 2.59404 4.42744 5.36684 ] [ 2.55841 4.36474 7.98562 ] [ 1.30847 6.85832 0.140496 ] [ 1.04675 6.65886 3.00706 ] [ 1.19615 6.98315 5.12423 ] [ 1.25206 6.66293 8.01894 ] [ 8.04953 0.0322781 0.0182935 ] [ 7.55558 0.199785 2.74649 ] [ 7.93559 0.112055 5.0724 ] [ 7.98515 -0.166664 8.01653 ] [ 6.60842 2.50903 0.388618 ] [ 6.50185 2.22264 2.77693 ] [ 6.25597 2.16054 5.35335 ] [ 6.59137 1.90633 8.35502 ] [ 5.23396 4.56546 -0.0725681 ] [ 5.25066 4.49547 3.18851 ] [ 5.24015 4.40121 5.40633 ] [ 5.22152 4.38149 8.02722 ] [ 4.08756 6.79587 0.0520959 ] [ 4.05454 6.94186 3.14225 ] [ 3.82322 6.82242 5.08974 ] [ 3.89326 6.64076 8.04862 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ -1.277789 -2.771704 0.757131 ] [ -1.104684 0.388477 0.32504 ] [ -2.506811 -4.89547 0.262237 ] [ -0.36436 1.58826 -0.935778 ] [ -1.785421 -0.532387 -12.85186 ] [ 0.311223 -0.388209 13.630646 ] [ 1.809088 4.814788 0.838584 ] [ 0.24817 0.150959 -0.410313 ] [ -1.418909 0.582731 -0.104227 ] [ 0.368814 -0.010171 -3.905299 ] [ 0.541847 -0.037514 3.532511 ] [ 0.017386 -0.581641 0.236835 ] [ -0.059804 -0.388985 -0.350646 ] [ -0.148775 -1.398129 1.446345 ] [ -0.211457 -0.043548 0.398208 ] [ -0.793668 -2.014815 -0.896201 ] [ 1.162174 0.202699 -1.848413 ] [ 1.545276 0.999872 2.598724 ] [ -0.159437 -0.467911 0.315417 ] [ -0.529032 2.628587 -0.642714 ] [ -4.666279 0.848065 23.577077 ] [ 0.729999 0.007487 -0.065164 ] [ 2.368927 5.040076 0.886818 ] [ 6.228773 1.677708 -24.77682 ] [ 2.686891 0.13892 -0.45631 ] [ -0.782151 -0.913327 0.766391 ] [ 0.309365 -0.162308 -0.651578 ] [ 0.024628 -0.277625 -0.568017 ] [ -0.954954 1.745699 0.405784 ] [ -0.105652 0.005521 -0.882687 ] [ 0.09931 -0.572924 -1.058079 ] [ 1.020429 -1.435463 0.533497 ] [ -0.19619 -0.253968 0.566712 ] [ -1.344628 -0.17653 -1.136235 ] [ 0.185947 0.421356 1.821526 ] [ 0.989821 -1.385643 -1.039461 ] [ -0.483032 0.053377 3.293795 ] [ -0.125642 -0.239848 1.854979 ] [ 0.414586 1.152965 0.137877 ] [ -0.688806 0.957627 -4.035924 ] [ -0.499771 0.423727 2.522402 ] [ 0.434239 -0.157745 0.591893 ] [ -0.072843 -0.024775 -0.222439 ] [ -0.109802 -0.018436 -2.79398 ] [ 0.682132 0.149503 1.672981 ] [ 0.826579 0.489518 -3.213125 ] [ 0.497467 -0.39159 3.468401 ] [ 0.142832 0.068869 -1.827612 ] [ -0.485542 -0.430336 3.615334 ] [ 2.03449 -1.265376 -0.796303 ] [ -2.032168 -4.163563 0.685836 ] [ 0.030637 -0.051691 -3.327827 ] [ -0.280692 -0.267899 1.630134 ] [ -0.56358 1.467864 0.403643 ] [ 0.030839 -0.29924 0.018083 ] [ 0.075723 0.509982 -2.803525 ] [ -0.40864 0.129222 4.823206 ] [ -0.419293 0.111313 -2.433366 ] [ -0.685223 0.098131 1.98969 ] [ 0.507828 0.142453 -5.39794 ] [ -0.320515 0.168905 3.485787 ] [ 0.361624 -0.250567 -7.872807 ] [ -0.92243 -0.541992 7.784901 ] [ -0.179066 -0.353331 -3.573776 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -245.138535 } }