{ "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" [ 10.3266 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.46418 9.07163 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.100466 -0.0199298 10.0183 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ 0.0779513 0.189385 0.181226 ] [ -0.0571419 0.0184695 2.66513 ] [ -0.0926515 -0.0431122 4.80401 ] [ 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-0.0655306 ] [ 3.84639 2.27134 2.66975 ] [ 3.92287 2.59357 5.05067 ] [ 3.83261 2.33167 7.91653 ] [ 2.61656 4.6132 -0.28943 ] [ 2.33757 4.80677 2.67606 ] [ 2.48376 4.57722 5.21093 ] [ 2.50842 4.59193 7.85151 ] [ 0.998103 7.06196 0.0810863 ] [ 1.41073 6.86877 2.3328 ] [ 0.844098 6.60999 5.10135 ] [ 1.35312 6.95955 7.62211 ] [ 7.94116 -0.0477541 0.110086 ] [ 8.01219 -0.118982 2.63786 ] [ 7.99147 -0.238257 5.58103 ] [ 7.77754 0.243694 7.42208 ] [ 6.58925 2.36008 0.282285 ] [ 6.54864 2.26214 3.15629 ] [ 6.5125 2.70174 5.05537 ] [ 6.58229 2.41464 7.90951 ] [ 5.19212 4.52418 0.138194 ] [ 5.16726 4.63222 3.11064 ] [ 5.4806 4.46265 5.57399 ] [ 4.92052 4.63093 7.62948 ] [ 3.9239 6.6838 -0.0487774 ] [ 3.78667 6.77732 2.60113 ] [ 3.80215 6.83963 5.60231 ] [ 3.79108 6.88965 8.23077 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ -0.212451 -1.742215 0.073501 ] [ 1.001613 -0.39151 -2.811239 ] [ 0.597094 -0.30522 3.210584 ] [ 0.479448 0.206021 -0.522517 ] [ 0.754693 -0.964583 11.441893 ] [ 0.483533 0.245493 0.257679 ] [ 0.618981 -0.103666 -0.02705 ] [ 2.374768 1.35472 -11.260647 ] [ 0.5476 -0.256921 10.956926 ] [ -0.38496 0.301994 -0.259585 ] [ 5.122994 2.869803 -0.208244 ] [ -0.972267 1.463244 -10.690569 ] [ -0.07601 -0.095229 5.151562 ] [ 0.071199 0.247485 -4.331416 ] [ 0.014117 0.71587 4.979302 ] [ -0.068212 0.45506 -4.861449 ] [ 1.648501 -0.303665 22.701963 ] [ -0.134839 -0.619024 -3.213952 ] [ 0.467885 -0.397927 3.683085 ] [ -1.543304 -0.078947 -22.838145 ] [ 0.796682 1.773907 0.020428 ] [ -0.015607 1.80043 0.705319 ] [ 0.263996 0.876258 -0.462877 ] [ 0.378071 0.356087 -0.615775 ] [ 1.222999 0.147802 0.571862 ] [ -0.27169 -0.283233 -0.662754 ] [ 0.25836 -2.904868 -1.814875 ] [ 0.241375 0.184251 2.733257 ] [ 0.290642 -0.060392 5.895387 ] [ -0.287378 -1.124439 -1.982825 ] [ -7.132329 1.370087 1.2347 ] [ 1.384491 0.363687 -5.952877 ] [ -0.303739 0.884172 0.994319 ] [ 1.576232 1.395302 -0.628026 ] [ -0.399739 -0.298702 0.036508 ] [ -0.498214 -0.290459 -0.982396 ] [ 0.090459 0.951456 5.06011 ] [ 0.41692 0.494999 -0.67281 ] [ -0.557924 -0.728953 0.645885 ] [ 0.031284 0.424389 -4.813547 ] [ -0.376734 -0.344293 11.396583 ] [ 0.949873 -2.008266 0.24517 ] [ -0.231741 0.331815 -0.099991 ] [ -1.102558 -0.289529 -10.967678 ] [ 0.351302 -1.668255 -1.178578 ] [ -1.55987 0.737597 1.314614 ] [ 7.633203 2.166916 0.630168 ] [ -0.631579 -0.426095 -0.151148 ] [ -0.17463 0.246827 0.41778 ] [ -1.922581 0.741854 -0.151575 ] [ -0.327877 -1.740969 -9.055711 ] [ -1.47043 1.126851 8.520156 ] [ -0.824781 -0.612658 0.865373 ] [ -0.377311 -2.188467 -8.464053 ] [ -0.305862 -4.366539 6.617124 ] [ -2.451511 -0.516794 -0.72963 ] [ 0.060639 -0.35837 0.526576 ] [ -0.5021 -0.345116 -1.258969 ] [ -4.457925 2.626179 -1.75533 ] [ -0.508107 -0.195825 2.931853 ] [ -0.38753 -1.69293 18.171908 ] [ 0.799118 -0.330305 -0.183867 ] [ 0.320841 -0.936665 -0.650837 ] [ -0.777123 2.110474 -17.730633 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -234.559887 } }