{ "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" [ 10.5856 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.4462 9.06493 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.279622 0.188792 10.3176 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ -0.0680542 0.163652 0.255954 ] [ 0.0999824 0.0476252 2.72693 ] [ -0.118852 0.128026 4.88578 ] [ -0.181823 0.243541 7.84184 ] [ -1.38184 2.22897 -0.108646 ] [ -1.30117 2.39414 2.29388 ] [ -1.7062 2.39552 4.81294 ] [ -1.61019 2.58763 7.79003 ] [ -2.70858 4.54239 -0.151845 ] [ -2.69884 4.68625 2.76596 ] [ -2.86548 4.77395 4.97841 ] [ -2.99159 4.6637 7.94938 ] [ -4.1901 6.67321 -0.399259 ] [ -4.08937 6.83628 2.32301 ] [ -4.1903 6.93981 5.23022 ] [ -4.25869 7.02167 7.61028 ] [ 2.64946 0.100672 0.0899987 ] [ 2.34792 -0.0568394 2.50299 ] [ 2.16376 0.25261 4.92835 ] [ 2.29899 0.174675 7.95102 ] [ 1.22435 2.52218 -0.106384 ] [ 0.9573 2.48507 2.89269 ] [ 1.19859 2.5471 5.01782 ] [ 1.10265 2.51164 7.82102 ] [ 0.265809 4.85078 0.00877376 ] [ -0.208711 4.43865 2.53497 ] [ 0.176284 4.84074 4.94991 ] [ -0.25392 4.74744 7.76477 ] [ -1.65563 6.92317 0.0957015 ] [ -1.45747 6.84972 2.45262 ] [ -1.68993 7.06359 5.38303 ] [ -1.59978 7.00696 7.18415 ] [ 5.06785 0.0923991 0.178855 ] [ 4.8986 0.11394 2.76417 ] [ 5.44756 0.154347 5.52516 ] [ 4.81211 0.307407 7.61283 ] [ 4.09234 2.51394 -0.0280987 ] [ 3.66159 2.50997 2.49044 ] [ 3.7568 2.35138 5.32247 ] [ 3.52485 2.84703 7.8516 ] [ 2.41741 4.60396 0.213121 ] [ 2.23357 4.70351 2.98342 ] [ 2.68435 4.58157 5.09325 ] [ 2.36938 4.84011 7.83278 ] [ 1.23197 6.85774 -0.354973 ] [ 1.03514 6.99328 2.29884 ] [ 1.1221 7.01945 5.15496 ] [ 1.04457 7.05661 7.65948 ] [ 8.03473 0.246063 0.425808 ] [ 7.83973 0.155836 2.64412 ] [ 7.94824 -0.0291046 5.41958 ] [ 7.79487 0.327794 8.00636 ] [ 6.54326 2.36157 0.443569 ] [ 6.58001 2.40647 2.97967 ] [ 6.74105 2.32551 5.05787 ] [ 6.35624 2.36779 8.10593 ] [ 5.58447 4.85785 0.331316 ] [ 5.18105 4.71119 2.66831 ] [ 5.11347 4.91069 5.65221 ] [ 5.26259 5.22511 8.02551 ] [ 3.84325 6.8985 0.290269 ] [ 3.8973 7.01822 2.77996 ] [ 3.85324 7.1029 5.03452 ] [ 3.69095 7.15117 7.82626 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ 0.719214 -0.589763 -0.781087 ] [ -1.515017 0.389518 -2.660544 ] [ -1.108641 0.87728 3.167751 ] [ -0.496085 0.334489 0.05139 ] [ 0.315884 1.095332 -0.015614 ] [ -1.388667 -0.770262 0.615876 ] [ 3.09768 -0.015135 0.552635 ] [ 0.192075 -0.301519 -0.726768 ] [ 1.264217 -0.143874 2.08361 ] [ -0.322786 -0.110548 -1.851834 ] [ 0.088276 -0.019736 2.197994 ] [ 0.610509 -0.040798 -2.227847 ] [ 1.333155 3.511892 1.041476 ] [ -0.139503 -0.475791 0.204074 ] [ 0.099104 0.263404 -0.802156 ] [ 1.926694 3.058805 -0.967704 ] [ -0.644645 0.510676 -0.483518 ] [ 1.8917 0.635252 0.15094 ] [ 2.023235 -0.150945 0.83295 ] [ 0.555226 0.304759 -0.352434 ] [ -0.175934 -1.027219 0.414936 ] [ 1.815683 -1.314082 -3.051073 ] [ -0.156742 -0.001387 3.633914 ] [ -0.35374 -0.280164 -0.715723 ] [ -3.743463 -1.027329 -0.000772 ] [ -0.160843 2.372567 -0.512826 ] [ -1.136223 -0.283726 0.850494 ] [ 0.055608 0.246061 -0.265446 ] [ 0.239799 -0.435407 -0.396554 ] [ 0.049895 0.06931 0.673477 ] [ -0.483477 0.421248 -14.818905 ] [ 0.733651 -0.823722 14.968615 ] [ 0.893799 -0.028466 -0.033371 ] [ 0.498767 0.468597 0.039542 ] [ -0.001516 0.25713 -3.074675 ] [ -0.447546 0.090592 2.657314 ] [ -0.394287 0.028874 0.427726 ] [ 0.317514 -0.079915 0.265247 ] [ 0.096393 -0.211626 -0.042285 ] [ 1.201734 -1.103926 -0.41232 ] [ 3.451685 0.110854 0.12437 ] [ 0.29742 0.67251 -3.506919 ] [ 0.580101 0.342918 2.920215 ] [ -0.347445 1.016572 -0.022406 ] [ 0.431743 1.856017 1.685779 ] [ 0.515104 0.20799 0.476133 ] [ -0.065367 -0.113261 -0.208174 ] [ -0.048651 0.393065 -0.918195 ] [ -0.749568 -0.834688 -2.310309 ] [ -0.437064 -0.497214 1.801817 ] [ -0.095995 1.202411 0.130252 ] [ -0.140533 -0.395945 -0.30816 ] [ -0.158698 -0.251343 -0.754178 ] [ -0.706141 0.126545 -4.522558 ] [ -2.901183 -0.0328 4.649082 ] [ -0.302824 0.173538 -0.118022 ] [ -2.287819 -2.935957 0.559202 ] [ -0.309166 -0.368786 0.634562 ] [ 0.019755 -0.815723 -0.995777 ] [ -2.579284 -3.531343 0.503188 ] [ -0.474369 0.002112 -0.59754 ] [ -0.236538 -0.588659 -1.687427 ] [ -0.389225 -1.2055 1.858411 ] [ -0.416633 -0.233762 -0.02985 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -253.504236 } }