{ "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" [ 10.7570093 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7570093 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7570093 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ 1.4385013 1.2675793 0.3893908 ] [ 4.7223243 2.0636923 0.9349565 ] [ 3.3834593 0.04377832 0.5806305 ] [ 1.5880733 3.4586803 1.3455793 ] [ 3.7096883 4.2277123 0.7203531 ] [ 2.7625103 0.7731921 3.9205343 ] [ 0.5429148 4.1515883 4.5102743 ] [ 2.3737913 3.0969483 3.5094933 ] [ 4.1708353 4.3775113 4.2982313 ] [ 0.5639486 2.6948963 6.3091183 ] [ 2.7584533 1.6969463 6.0967323 ] [ 4.927674300000001 2.7490763 5.8122583 ] [ 1.8827633 2.3893673 9.1260853 ] [ 1.0335103 5.1891523 8.8679963 ] [ 4.1966953 3.0534693 9.4718723 ] [ 0.2694268 5.4608953 1.6023983 ] [ 4.8820523 6.2803973 0.3742975 ] [ 2.0617503 8.8550703 0.4747595999999999 ] [ 3.8451633 7.9216563 1.5941203 ] [ 1.2732303 6.2682153 5.2907613 ] [ 4.175539300000001 7.7863623 3.8662423 ] [ 1.7772343 8.1723283 3.9828413 ] [ 0.8584466 10.3462793 4.5969493 ] [ 4.2706793 9.9314023 4.8770183 ] [ 0.04399472 6.6105003 7.2449793 ] [ 3.1603923 5.3478023 6.2162473 ] [ 4.9877063 6.7169553 6.7534893 ] [ 2.3363293 9.1927443 6.0358203 ] [ 0.7217219 8.8519663 7.8354983 ] [ 5.0272563 7.4111563 9.0174363 ] [ -0.03409687 8.7572203 10.1595093 ] [ 3.8729703 10.6636993 9.0383823 ] [ 2.9319113 8.5005703 9.0810683 ] [ 7.1648843 2.3524193 1.5976323 ] [ 9.2021943 1.7784773 2.7872753 ] [ 10.1390793 0.0910356 0.1938382 ] [ 7.8843933 4.3155963 0.2359658 ] [ 6.4157073 0.9791643 3.4070083 ] [ 7.2100913 2.2274973 5.2010583 ] [ 7.883055300000001 4.3359153 4.4178583 ] [ 6.1213403 4.1664113 2.8934593 ] [ 9.6213283 4.0546093 2.8895173 ] [ 9.2715983 1.3179283 6.1574033 ] [ 5.9512883 4.5845393 6.9338073 ] [ 7.987948299999999 5.2644653 7.8274843 ] [ 9.3323953 3.3342493 7.4925663 ] [ 5.8329373 1.1666843 9.7058743 ] [ 7.5608043 0.7389511 7.9889683 ] [ 6.3107123 4.2462273 9.2231233 ] [ 10.5161193 3.3630173 9.4832973 ] [ 6.8519103 5.9672363 1.6014323 ] [ 9.8648173 7.3519673 2.4963113 ] [ 7.017440300000001 10.6962293 1.4150243 ] [ 8.8271853 8.2873163 0.6375625 ] [ 8.3711163 9.2639883 2.7619623 ] [ 10.3735793 10.5271393 2.5196753 ] [ 6.5086783 7.7129133 3.1985103 ] [ 6.9361423 7.2180833 5.4520133 ] [ 8.8934953 6.0026633 5.8035263 ] [ 7.8230973 9.3281173 5.6068433 ] [ 5.9704623 10.3780093 6.558647300000001 ] [ 9.2496993 9.9288763 7.3272973 ] [ 9.9134733 5.4848903 10.3263093 ] [ 6.0304723 9.6156903 8.8397153 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ -0.500702 0.513586 0.049544 ] [ 0.47524 -0.107461 0.745664 ] [ 0.774904 0.063648 0.726686 ] [ -0.132977 0.254449 -0.264392 ] [ 0.16839 0.169835 -0.154735 ] [ 0.132591 0.099948 -0.403387 ] [ 0.005794 0.072953 0.020866 ] [ 0.519816 -0.127752 -0.043941 ] [ 0.188596 -0.088403 -0.736347 ] [ -0.102878 -0.285689 0.222495 ] [ 0.330521 -0.178308 1.112888 ] [ 0.039845 -0.061454 0.824999 ] [ 0.446244 -0.136303 -1.000431 ] [ 0.740937 0.937309 -0.359187 ] [ 0.023597 -0.070103 -0.612504 ] [ 0.109684 -0.306435 0.081609 ] [ 0.393591 -0.285319 -0.581604 ] [ -0.380284 -0.704648 0.411156 ] [ -0.424053 0.721979 -0.110565 ] [ -0.33037 0.244121 -0.388812 ] [ 0.064606 -0.146055 0.137187 ] [ -0.677917 -0.931963 -0.792908 ] [ -0.81314 0.469933 -0.649318 ] [ 0.748531 0.977486 0.086497 ] [ -0.17601 0.251828 -0.228825 ] [ 0.519557 -0.296385 0.259796 ] [ 0.115215 0.392933 -0.114817 ] [ -0.238446 0.095431 1.257666 ] [ -0.417447 -0.316859 0.087028 ] [ 0.111282 -0.058276 -0.023216 ] [ 0.497027 -0.494439 -0.398812 ] [ -0.618278 0.660143 -0.85354 ] [ -0.365185 -0.111319 -0.396392 ] [ 0.074877 0.931546 -0.894385 ] [ -0.299484 0.058296 0.242152 ] [ -0.409077 1.115929 0.121045 ] [ 0.365132 -0.266258 -0.035718 ] [ -0.650491 -0.876634 0.849802 ] [ 0.811731 -0.63231 0.465866 ] [ 0.243665 0.24863 0.258944 ] [ -0.650467 0.311858 0.256307 ] [ 0.100897 -0.003584 -0.088702 ] [ 0.229311 -0.161956 -0.536133 ] [ -0.519506 -0.72871 -0.429971 ] [ 0.703815 -0.142646 0.647073 ] [ -0.195853 -0.176496 0.569977 ] [ 0.362207 0.440202 0.203066 ] [ -0.214203 0.426919 0.616597 ] [ -0.529035 -0.165428 0.51046 ] [ -0.501859 -1.438485 0.290098 ] [ 0.17177 0.67786 -0.332192 ] [ 0.539938 -0.261003 0.807229 ] [ -0.043255 -0.58417 -1.315929 ] [ -0.857978 -1.075886 -1.043381 ] [ -0.502752 0.428169 1.669879 ] [ 0.037107 -0.166332 0.738998 ] [ 0.335341 -0.057965 -0.061805 ] [ -0.201394 -0.141482 -0.03157 ] [ 0.143263 0.252434 -0.097473 ] [ 0.25477 0.434182 -0.870723 ] [ -0.260887 0.106903 -0.312092 ] [ 0.727204 0.199615 0.005785 ] [ -0.57779 0.827525 -0.108603 ] [ 0.084726 -0.799134 -0.004953 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -251.902151 } }