{ "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" [ 10.5393 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.43887 9.05087 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.143218 -0.114794 10.5272 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ 0.0494125 -0.132091 -0.111737 ] [ -0.184353 0.00430984 2.18102 ] [ -0.11482 0.380294 5.25782 ] [ -0.244788 0.0140152 7.75205 ] [ -1.34009 2.25547 0.00920874 ] [ -1.26592 1.82964 2.63403 ] [ -1.6022 2.11686 4.86106 ] [ -1.66796 2.19179 8.11251 ] [ -2.4686 4.65495 -0.00398125 ] [ -2.76237 4.7379 2.14805 ] [ -2.48563 4.61278 5.50478 ] [ -2.70397 4.5148 8.08626 ] [ -3.98412 6.86221 -0.0428531 ] [ -3.96331 6.85194 2.77309 ] [ -4.2696 6.9471 5.55519 ] [ -4.05263 6.79882 8.03872 ] [ 2.63278 -0.0182738 -0.0925887 ] [ 2.86231 -0.232189 2.37567 ] [ 2.47369 0.049804 5.46796 ] [ 2.47607 0.0805706 8.10722 ] [ 1.18343 2.27877 -0.357607 ] [ 0.95415 1.97479 2.63913 ] [ 0.838658 2.26204 5.11571 ] [ 1.16339 2.2787 7.75781 ] [ 0.00806354 4.51638 -0.0238729 ] [ 0.140016 4.43403 2.84088 ] [ 0.0408012 4.36729 5.18892 ] [ -0.252097 4.53274 7.85505 ] [ -1.3368 6.84839 0.00618535 ] [ -1.36517 6.60697 2.65842 ] [ -1.62439 6.56981 5.42544 ] [ -1.42765 6.93185 7.96007 ] [ 5.27133 -0.0417942 0.548974 ] [ 5.19823 -0.120697 2.85717 ] [ 5.16191 0.00847631 5.30183 ] [ 5.13479 -0.0212469 8.31225 ] [ 3.69224 2.55131 0.051838 ] [ 4.03576 2.12846 2.49134 ] [ 3.86904 2.26035 5.23367 ] [ 3.71411 2.63676 8.09455 ] [ 2.55809 4.50055 0.36649 ] [ 2.65311 4.49618 2.73582 ] [ 2.66157 4.48586 5.40926 ] [ 2.52374 4.61279 7.85315 ] [ 1.03181 6.80245 -0.224966 ] [ 1.09542 6.79948 2.63897 ] [ 1.26768 6.90023 5.34121 ] [ 1.19814 6.81094 7.63642 ] [ 7.89469 -0.0278934 0.337221 ] [ 7.90211 0.0217282 2.65444 ] [ 7.96695 0.205962 5.37915 ] [ 7.72314 -2.68416e-05 7.90902 ] [ 6.65304 2.20705 0.62969 ] [ 6.29274 2.1576 3.08819 ] [ 6.49406 2.29964 5.35531 ] [ 6.70652 2.22379 8.00048 ] [ 5.25236 4.63023 0.1322 ] [ 5.22305 4.62625 2.83966 ] [ 5.1632 4.60289 5.34535 ] [ 5.21651 4.83651 7.70287 ] [ 3.80398 6.65708 0.438012 ] [ 3.65432 7.1927 2.95946 ] [ 3.66801 6.95499 5.4583 ] [ 3.73246 6.78356 8.0622 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ -0.285999 0.391382 -0.937685 ] [ 1.912866 -2.699352 0.347948 ] [ -0.401145 -4.402391 0.833918 ] [ 0.106839 0.063506 0.384416 ] [ -0.42854 -0.00922 0.325895 ] [ -2.298094 3.861206 -0.974235 ] [ -0.136005 3.245943 0.720816 ] [ 2.994392 0.005372 0.188146 ] [ -0.214339 -0.56981 -1.939503 ] [ -0.511502 -0.655924 2.888931 ] [ -1.592061 -2.919702 0.376869 ] [ -0.495856 0.161439 -0.793132 ] [ -0.246191 -0.386483 0.426825 ] [ -0.630179 0.082924 0.213201 ] [ 0.195078 -0.090491 -0.757146 ] [ 0.433851 0.634376 -0.009512 ] [ 0.402591 0.40407 1.152531 ] [ -1.013414 0.807381 0.299518 ] [ 0.619811 -0.059264 0.060129 ] [ 0.220136 0.261818 -1.592042 ] [ -0.029291 -0.215453 0.781574 ] [ 3.040965 1.098612 0.157871 ] [ 3.014791 1.339289 0.123513 ] [ -0.066417 0.093851 -0.139213 ] [ 0.427538 -0.180067 0.082236 ] [ -0.32153 0.097124 -1.2425 ] [ -0.549054 1.598178 0.938447 ] [ 0.595535 -0.235484 0.237804 ] [ -0.6454 0.133953 0.044117 ] [ -0.00389 0.101872 0.511681 ] [ 1.154938 3.208937 -0.546249 ] [ -0.208039 -0.670188 -0.285755 ] [ 0.340266 0.526042 -2.234206 ] [ 0.539321 -0.136921 1.107987 ] [ 0.020931 -0.244089 0.524129 ] [ 0.162295 0.685674 -0.107798 ] [ 0.958839 -1.146734 -0.267709 ] [ -1.342028 0.672262 0.572766 ] [ -0.379738 -0.02698 0.064551 ] [ 0.854406 -1.253174 -0.191995 ] [ -0.802032 1.234245 -0.53456 ] [ 0.063094 -0.05465 0.611661 ] [ -0.148063 0.173935 -0.396974 ] [ -0.827194 0.37512 0.024654 ] [ 1.193195 0.367045 0.332953 ] [ 0.395914 -0.383718 0.149167 ] [ -1.002739 -0.174305 -1.645869 ] [ -0.4464 -0.246051 1.790182 ] [ -0.178547 -0.238328 -1.624583 ] [ -2.102885 0.29044 0.801839 ] [ -1.454655 -2.193356 0.778911 ] [ 0.025871 -0.344953 0.02613 ] [ -0.189519 0.251743 -0.650406 ] [ 0.601717 0.506845 -1.751795 ] [ -0.4634 0.391735 1.716495 ] [ -3.162784 0.3633 -0.516369 ] [ 0.338178 -0.328487 0.110889 ] [ 0.186267 -0.038863 -0.473661 ] [ 0.539504 -0.129329 -0.607043 ] [ -0.316383 -1.288172 0.888592 ] [ -0.094362 0.30921 -0.520479 ] [ 0.858093 -2.447477 0.25594 ] [ 0.707117 -0.278463 -0.311543 ] [ 0.083339 0.309048 0.198734 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -257.813002 } }