{ "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" [ 10.5774 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.5435 9.41396 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.064938 0.0467405 10.4512 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ 0.236369 0.26893 0.312575 ] [ -0.468457 -0.0551533 2.71797 ] [ 0.155919 0.092588 5.15124 ] [ -0.018441 0.0929563 7.82273 ] [ -1.55477 1.97581 -0.267213 ] [ -1.04358 2.17509 2.21266 ] [ -1.40284 2.08288 5.10665 ] [ -1.53193 2.47262 7.67232 ] [ -2.52557 4.36371 -0.0687127 ] [ -2.63168 4.78588 2.11088 ] [ -2.8285 4.66387 4.81651 ] [ -2.43747 4.62598 7.37597 ] [ -4.03263 6.85233 0.0129409 ] [ -3.84994 6.83623 2.55746 ] [ -3.98778 6.95546 5.08975 ] [ -4.04437 7.15345 7.98474 ] [ 2.7925 -0.150709 -0.236912 ] [ 2.52744 0.0585484 2.75097 ] [ 2.97937 0.0253826 4.99024 ] [ 2.79178 -0.125765 7.78546 ] [ 1.17257 2.07204 0.331708 ] [ 1.3094 2.34381 2.76563 ] [ 1.18538 2.29758 5.23355 ] [ 1.59625 2.2364 7.51626 ] [ 0.209736 4.7052 -0.38166 ] [ 0.0212178 4.79108 2.50518 ] [ 0.14278 4.68614 5.40679 ] [ 0.0689267 4.99276 7.69231 ] [ -1.30113 6.84139 -0.125401 ] [ -1.32129 6.9098 2.46812 ] [ -1.40757 6.90228 4.65006 ] [ -1.51326 6.89042 7.78065 ] [ 5.65863 -0.119012 -0.254989 ] [ 5.10197 -0.169957 2.56638 ] [ 5.09243 0.203313 5.33098 ] [ 5.4779 0.0404503 7.67487 ] [ 4.26427 2.43752 0.163886 ] [ 3.82857 2.25448 2.19664 ] [ 4.05658 2.33431 4.68086 ] [ 4.02669 2.41042 7.33784 ] [ 2.70197 4.51023 -0.181109 ] [ 2.69021 4.95442 2.77602 ] [ 2.76302 4.59982 5.27878 ] [ 2.51118 4.74862 7.54636 ] [ 1.32887 6.836 -0.11303 ] [ 1.20887 6.93781 2.26344 ] [ 1.34794 6.78344 4.99463 ] [ 1.1866 6.82578 7.72723 ] [ 7.89632 -0.0170417 0.0255252 ] [ 7.53531 0.00656563 2.93328 ] [ 7.75351 0.543148 5.15254 ] [ 7.57049 -0.0404042 7.95999 ] [ 6.60423 2.27111 -0.0474532 ] [ 6.37919 2.09166 2.92245 ] [ 6.73055 2.30287 5.30103 ] [ 6.58072 2.36604 7.68857 ] [ 5.17021 4.6802 0.219605 ] [ 5.33653 4.41662 2.44533 ] [ 5.28123 4.72183 5.09151 ] [ 4.95328 4.74786 7.55719 ] [ 4.06766 6.86832 -0.154912 ] [ 3.74255 7.04003 2.54371 ] [ 3.95151 7.01529 5.08037 ] [ 3.49217 7.04854 7.79727 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ -2.125424 -5.261029 -0.675196 ] [ 0.526144 -0.545443 0.012573 ] [ -0.110145 -1.020287 0.451487 ] [ 0.294623 -0.118193 -0.270454 ] [ 1.127738 1.273332 -0.07732 ] [ -0.932882 0.927239 0.34565 ] [ 2.948897 3.264918 0.095318 ] [ 0.820918 -1.050584 -0.006505 ] [ -0.02265 0.234371 -1.988771 ] [ 0.086495 -0.610091 2.408972 ] [ 0.794959 -0.259005 0.466272 ] [ -0.800359 0.497227 0.045619 ] [ 0.355118 0.404866 -0.013823 ] [ -0.723466 0.703847 -0.129357 ] [ 0.002183 0.407669 0.126673 ] [ -0.296233 -0.093343 -0.534188 ] [ 0.040616 -0.02944 0.507292 ] [ -0.343417 -0.340939 -1.481139 ] [ -3.071773 -0.740793 0.8568 ] [ -0.110245 0.291065 -0.282997 ] [ 2.499237 4.958109 -0.662935 ] [ 0.480609 0.229436 -0.151722 ] [ 0.276453 0.543994 -0.802253 ] [ -0.3168 -0.249905 1.087601 ] [ -0.703544 -0.854746 1.186156 ] [ -0.023898 -0.85333 -0.016691 ] [ -0.321932 -0.432016 -1.839156 ] [ -1.643905 -3.007072 0.581588 ] [ -0.251259 0.322889 -0.3833 ] [ 0.052674 0.268371 -2.410951 ] [ 0.085395 0.018739 3.099433 ] [ -0.125985 0.756604 0.313223 ] [ -2.215686 -0.454642 0.457628 ] [ -0.111269 0.321997 -0.401857 ] [ 2.711377 -0.631983 -0.269834 ] [ -3.848646 -0.161128 0.018619 ] [ -0.557069 -0.405653 -4.224041 ] [ -0.70582 -0.364082 4.199035 ] [ -0.234273 0.59108 0.919077 ] [ 0.207071 -0.238573 0.073596 ] [ -0.114142 0.056585 -0.064507 ] [ -0.34697 -1.478153 -0.344451 ] [ -0.21544 0.019054 -1.804494 ] [ 0.422575 -0.950375 1.868901 ] [ 0.077307 0.618295 -0.450522 ] [ 0.349869 0.654737 0.863189 ] [ -0.101754 0.472486 0.281626 ] [ 0.512697 3.150649 -0.256271 ] [ 0.991872 -1.025058 0.204602 ] [ 0.659806 -0.954318 -1.522042 ] [ 0.311374 -7.423814 1.006435 ] [ 3.978973 -0.13761 -0.078831 ] [ -0.114637 0.244682 -0.379454 ] [ -0.137057 0.887593 -1.221851 ] [ -3.063098 4.645858 -0.014205 ] [ -0.221592 0.446147 1.174056 ] [ 0.732138 0.37298 -1.841416 ] [ 0.081079 0.213776 1.827636 ] [ -0.131403 0.1359 -0.042433 ] [ 1.006529 0.097237 0.256121 ] [ -0.94404 0.413164 0.115885 ] [ 0.870359 0.636545 -0.260003 ] [ -0.089526 0.023926 0.209186 ] [ 1.771253 0.586236 -0.15728 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -254.321395 } }