{ "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" [ 10.5412 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.30912 9.14864 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0543286 0.019795 10.8232 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ -0.286699 0.153382 0.373585 ] [ -0.187054 0.367397 2.85917 ] [ -0.118437 0.045237 5.29812 ] [ 0.161464 0.204785 7.78512 ] [ -1.31943 2.27186 0.0564818 ] [ -1.27142 2.1522 2.24599 ] [ -1.33754 2.32527 5.2183 ] [ -1.06279 2.24208 8.02228 ] [ -2.54101 4.69741 0.0615276 ] [ -2.56902 4.80047 2.86272 ] [ -2.84351 4.68844 5.4509 ] [ -2.65944 4.56647 7.82922 ] [ -3.75335 6.86254 -0.00837524 ] [ -4.01979 6.84927 2.12554 ] [ -3.98123 6.86615 5.18655 ] [ -4.16031 6.92891 7.39891 ] [ 2.60746 -0.0636241 -0.310305 ] [ 3.04045 -0.0925071 2.38474 ] [ 2.61605 0.0593251 5.65186 ] [ 2.61477 0.0296499 7.78516 ] [ 1.32145 2.17028 0.0126449 ] [ 1.60396 2.15959 2.52799 ] [ 1.30724 2.30873 5.39167 ] [ 1.26384 2.35954 7.59895 ] [ -0.104948 4.5869 -0.469244 ] [ -0.0877149 4.73441 2.39274 ] [ -0.0116221 5.05796 5.31576 ] [ 0.220851 4.43169 7.92722 ] [ -1.1327 6.75825 0.187518 ] [ -1.47179 6.51111 2.84724 ] [ -1.19415 7.05782 5.14551 ] [ -1.35897 6.8173 7.86939 ] [ 5.25996 -0.0649457 -0.0171645 ] [ 5.27266 0.0188076 2.88871 ] [ 5.1805 -0.00119386 4.74664 ] [ 5.18778 0.223665 7.83523 ] [ 3.90424 1.94181 0.0870598 ] [ 4.04699 2.36001 3.0742 ] [ 3.74444 2.62006 4.95649 ] [ 3.71365 2.01938 7.65747 ] [ 2.65571 4.63737 0.230889 ] [ 2.42179 4.76107 2.76443 ] [ 2.79983 4.57751 5.20168 ] [ 2.62512 4.60433 7.8204 ] [ 1.32716 6.84668 -0.358965 ] [ 1.22891 6.94561 2.6199 ] [ 1.3277 6.78423 5.43376 ] [ 1.32466 6.85798 7.90871 ] [ 7.90588 0.00998967 -0.16703 ] [ 8.02626 0.206874 2.33479 ] [ 7.91227 0.169129 5.31396 ] [ 7.85676 0.0210477 7.54887 ] [ 6.94188 2.38798 0.285476 ] [ 6.94129 2.50643 2.80075 ] [ 6.63163 2.33666 5.64131 ] [ 6.30023 2.42301 8.07149 ] [ 5.22299 4.55947 -0.0816771 ] [ 5.20287 4.48787 3.06496 ] [ 5.00356 4.27866 5.27795 ] [ 5.18771 4.64392 7.97119 ] [ 3.89152 6.59134 0.00694915 ] [ 3.93864 6.86941 2.98575 ] [ 3.98098 6.86554 5.00501 ] [ 3.90778 6.99502 7.60915 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ 1.101765 -1.105371 -0.191694 ] [ 1.996239 -2.200287 0.596921 ] [ 0.277092 -0.086362 -0.168568 ] [ -0.493961 -1.280163 0.152038 ] [ 1.14405 1.038391 -3.257879 ] [ 0.034531 3.465716 2.288225 ] [ 0.232781 0.393102 0.214234 ] [ -1.820355 0.31038 0.232122 ] [ -0.518103 -0.32313 -0.089237 ] [ -3.312729 -4.367835 -0.277895 ] [ 0.420043 -0.471177 -0.774724 ] [ 0.255121 0.216905 0.777861 ] [ -0.325615 -0.04757 -2.893973 ] [ -0.691973 0.1608 3.628566 ] [ 0.165804 0.491481 -1.666304 ] [ 0.192782 -0.386719 2.330294 ] [ -0.249544 -0.440543 -0.059646 ] [ -1.519688 -0.200251 -0.739657 ] [ 0.007982 -0.064709 -3.68329 ] [ -0.366878 -1.809357 3.828189 ] [ 0.369376 0.324412 0.128108 ] [ -0.017487 0.017387 -0.064081 ] [ -0.350247 -0.032583 -2.425977 ] [ 1.074863 -0.044972 1.802086 ] [ 0.454484 -0.375969 0.669504 ] [ 1.083322 -1.354351 -0.224364 ] [ -1.107197 -3.214775 -0.00488 ] [ -1.06648 1.10124 -0.201444 ] [ -0.087201 0.749725 -0.057363 ] [ 2.167699 5.443695 -0.518899 ] [ -1.158937 0.32039 0.993797 ] [ -0.04485 0.353944 -0.085593 ] [ -0.001246 -0.045331 -0.364451 ] [ 1.718107 0.534599 -11.560474 ] [ -0.131482 0.420009 12.139388 ] [ 1.145801 -1.256991 0.583682 ] [ 0.293812 1.204743 0.039894 ] [ 1.267935 -1.652689 -9.177695 ] [ -2.01665 -4.273174 8.199013 ] [ 0.524825 2.339174 -0.046008 ] [ -0.845249 -1.087054 0.056746 ] [ 0.221224 -0.364132 -0.613006 ] [ -3.439475 2.261674 0.952178 ] [ 0.920195 0.181544 -0.294055 ] [ 0.400718 -0.029282 0.290753 ] [ 0.156715 0.248251 -0.082445 ] [ 1.606392 2.220322 -0.5228 ] [ -0.186169 0.289221 0.33632 ] [ -0.632852 -0.34244 -0.191414 ] [ -1.627603 -1.85475 0.294644 ] [ -0.416397 -0.222196 -1.705198 ] [ -0.09538 0.022025 2.232464 ] [ -1.882189 0.22375 -0.183051 ] [ -0.806776 -0.226655 -0.00543 ] [ 0.028611 -0.080481 -0.687174 ] [ 0.299781 0.00211 0.322782 ] [ 0.22635 -0.550862 -0.650773 ] [ 0.503675 0.651724 -2.44771 ] [ 4.199762 2.785328 2.647985 ] [ 0.031357 0.048784 0.529995 ] [ 0.644483 1.60061 -0.091711 ] [ -0.010878 0.05996 -6.641978 ] [ 0.195717 0.252438 6.128455 ] [ -0.139805 0.058322 0.254598 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -248.290319 } }