{ "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" [ 10.8361 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.16509 9.32986 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.338382 0.285992 10.2675 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ 0.226915 0.0279141 0.00178709 ] [ 0.00521394 -0.00120898 2.61988 ] [ 0.111086 -0.00441851 5.39688 ] [ -0.00811775 0.00988404 7.76446 ] [ -1.26892 2.00974 -0.128773 ] [ -1.51778 2.36617 2.46995 ] [ -1.29504 2.30049 5.2473 ] [ -1.58222 2.22335 7.67671 ] [ -2.57393 4.57709 0.303636 ] [ -2.71158 4.50657 2.20402 ] [ -2.29766 4.85067 5.36604 ] [ -2.53013 5.02991 7.91092 ] [ -4.04953 6.9583 -0.290266 ] [ -3.92011 6.89235 2.29412 ] [ -3.94024 6.80767 5.1746 ] [ -4.02059 6.91717 8.22515 ] [ 2.55027 0.0107665 0.137903 ] [ 2.73854 0.0758287 2.41415 ] [ 2.88705 0.428661 5.25833 ] [ 2.96792 0.198107 8.129 ] [ 1.17194 2.3249 0.241827 ] [ 1.411 2.209 2.91902 ] [ 1.2891 1.94714 4.88894 ] [ 1.29288 2.19289 7.8659 ] [ 0.00639291 4.77216 0.0234148 ] [ -0.0213263 4.6438 2.62467 ] [ -0.236535 4.59722 5.02665 ] [ 0.0198478 4.59769 7.81845 ] [ -1.31921 6.83806 0.0664341 ] [ -1.28766 6.8641 2.75104 ] [ -1.23014 7.04914 5.08588 ] [ -1.40792 7.24847 7.99066 ] [ 5.56053 0.0385699 0.241581 ] [ 5.15835 0.216277 2.54291 ] [ 5.29544 0.000750747 5.09452 ] [ 5.36985 0.0699487 7.97644 ] [ 4.01598 2.01186 -0.260287 ] [ 4.01533 2.24671 2.48669 ] [ 3.98846 2.29098 4.91301 ] [ 4.10827 2.29632 7.85242 ] [ 2.56747 4.49522 -0.138841 ] [ 2.86035 4.53832 2.45489 ] [ 2.68672 4.96676 5.26116 ] [ 2.68347 4.4963 7.37849 ] [ 1.31877 6.83213 0.0410508 ] [ 1.66677 6.5533 2.52828 ] [ 1.32642 6.86023 5.17956 ] [ 1.00003 7.08995 7.7783 ] [ 7.8962 0.0196713 0.322052 ] [ 7.8775 -0.259473 2.75098 ] [ 7.6397 0.0359307 5.05376 ] [ 7.97203 0.0567385 7.89895 ] [ 6.56802 2.27165 -0.144672 ] [ 6.42437 2.2899 2.41541 ] [ 6.57384 2.26553 5.04812 ] [ 6.62454 2.30565 7.76409 ] [ 5.0871 4.70438 -0.418777 ] [ 5.46675 4.43674 2.45804 ] [ 5.64549 4.39342 5.3916 ] [ 5.30187 4.59667 7.61215 ] [ 3.96645 6.8464 -0.0435212 ] [ 4.05575 6.85317 2.31994 ] [ 4.07639 6.7929 5.46762 ] [ 3.90254 6.79284 7.72497 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ -1.414432 -0.797893 0.328337 ] [ -0.27434 -0.326741 0.032005 ] [ -0.434009 -1.103507 -0.980519 ] [ -0.203236 -0.059249 0.550635 ] [ -0.89526 0.271816 0.514253 ] [ 0.142279 -0.421492 0.332525 ] [ -0.289196 -0.300086 -0.557623 ] [ 0.37531 0.215104 0.30573 ] [ 0.565725 0.062224 -9.964473 ] [ -0.867367 -0.009739 9.554878 ] [ -4.16977 0.041734 1.08454 ] [ 0.337306 -0.894783 -0.474071 ] [ 2.150115 2.215271 14.162628 ] [ -0.215954 0.077879 0.81435 ] [ -0.409864 0.154399 -0.446245 ] [ -2.726538 -1.978611 -14.030387 ] [ 0.615207 -0.136214 0.221282 ] [ -0.605517 -0.71085 1.556297 ] [ -0.376933 -3.667259 1.031105 ] [ -0.869996 -0.342841 -2.088829 ] [ 0.367156 0.437599 -0.381865 ] [ 0.109118 1.006943 -7.141166 ] [ -1.526944 1.446043 6.422985 ] [ 0.079448 0.60566 -0.053325 ] [ -0.279696 -1.115981 0.001853 ] [ -0.070877 -0.441407 -0.4861 ] [ 3.721355 -0.414819 0.080087 ] [ 0.329361 0.027324 -0.138391 ] [ -0.311566 0.626827 0.778035 ] [ -0.449369 0.133864 -1.368825 ] [ -0.031156 0.71223 0.830692 ] [ -0.032372 -0.343159 -0.75097 ] [ -1.005331 -0.947709 -0.876047 ] [ 0.596169 -1.74147 0.847351 ] [ -0.489895 -0.158705 0.217576 ] [ 0.929748 0.073914 -0.452043 ] [ 0.03354 0.681716 3.127031 ] [ -1.254529 1.114022 -0.266052 ] [ 1.3604 2.191508 0.316051 ] [ -0.596626 1.044933 -2.917053 ] [ 0.011936 -0.320795 0.287371 ] [ 0.063107 -0.711325 0.11035 ] [ 0.136851 -1.406958 -2.973515 ] [ -0.133081 -0.758291 3.100765 ] [ 0.241553 0.332276 -0.079225 ] [ -1.213379 1.282304 0.359401 ] [ -0.454042 0.86338 -0.003658 ] [ 0.974552 -0.480937 -0.356684 ] [ 0.995824 -0.056664 -0.971044 ] [ 0.544008 -0.192085 -0.786984 ] [ 1.372603 -0.502485 1.362721 ] [ 0.541884 -0.437352 -0.258093 ] [ 0.30455 0.724798 0.783866 ] [ 1.765749 -0.12241 0.300416 ] [ 0.64643 -0.183458 -0.042912 ] [ 0.486552 0.104679 -0.878897 ] [ 0.458508 -0.45467 2.03292 ] [ -0.225282 1.247518 0.130289 ] [ 0.013864 1.109066 -2.037665 ] [ -0.038716 -0.019543 0.280095 ] [ -0.265187 0.599275 -0.569696 ] [ 0.921025 0.438448 0.911203 ] [ 1.108402 1.149006 -1.696321 ] [ -0.169177 0.567729 1.259057 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -252.238264 } }