{ "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" [ 10.5567 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.20932 9.18827 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.18786 0.0666744 10.2608 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ -0.283194 -0.386785 -0.118492 ] [ 0.246866 -0.21606 2.82281 ] [ -0.0836219 0.018241 5.31007 ] [ -0.293717 -0.384344 7.57864 ] [ -1.43069 2.29331 0.309847 ] [ -1.35745 2.29447 2.1477 ] [ -1.11282 2.30117 5.57605 ] [ -1.0529 2.25523 8.14996 ] [ -2.62682 4.22592 0.0845056 ] [ -2.66632 4.56224 2.24299 ] [ -2.64219 4.52795 5.15093 ] [ -2.76087 4.78142 7.5503 ] [ -4.00447 6.84306 0.412644 ] [ -3.96448 6.83552 2.60425 ] [ -4.07483 7.14381 5.12813 ] [ -3.99024 6.90046 7.83447 ] [ 2.35797 0.0901357 0.0940267 ] [ 2.51848 -0.254897 2.80735 ] [ 2.64123 -0.0262436 4.86429 ] [ 2.73169 0.0293697 7.63944 ] [ 1.38694 2.32567 -0.401338 ] [ 1.45014 2.0066 2.29982 ] [ 1.36777 2.17575 5.22748 ] [ 1.51859 1.95452 7.72489 ] [ -0.378423 4.6342 0.275746 ] [ 0.0875928 4.5683 2.62757 ] [ -0.120729 4.56872 5.4428 ] [ -0.0516659 4.27553 7.44726 ] [ -1.39631 6.57015 0.0521927 ] [ -1.387 6.84455 2.30582 ] [ -1.53804 6.92144 4.91508 ] [ -1.19435 7.14921 7.61543 ] [ 5.2052 -0.133658 -0.326167 ] [ 5.25814 0.274849 2.5427 ] [ 5.06618 -0.15995 5.22987 ] [ 5.52975 0.245104 7.58035 ] [ 3.89444 2.46247 0.478395 ] [ 3.97094 2.28276 2.83332 ] [ 3.90668 2.19487 5.2001 ] [ 3.61141 2.02753 8.00859 ] [ 2.56457 4.62627 0.184413 ] [ 2.74023 4.60475 3.00429 ] [ 2.8301 4.45212 4.83026 ] [ 2.31952 4.47625 7.8889 ] [ 1.42524 6.85023 -0.353147 ] [ 1.25681 6.75802 2.46119 ] [ 1.33486 6.66836 5.0109 ] [ 1.43576 6.51188 8.1871 ] [ 7.90631 0.00393241 0.0217092 ] [ 7.99511 -0.220645 2.86668 ] [ 8.02727 -0.0375298 5.19594 ] [ 8.09865 0.104076 8.00312 ] [ 6.83826 2.22125 0.296203 ] [ 6.46766 2.34085 2.33837 ] [ 6.55129 2.30089 5.1773 ] [ 6.59436 2.26185 7.90285 ] [ 5.54281 4.6208 -0.248744 ] [ 5.2397 4.807 2.51143 ] [ 5.16397 4.38995 5.13699 ] [ 5.53256 4.22852 8.04871 ] [ 3.66559 7.00483 -0.027141 ] [ 3.91947 6.59916 2.92411 ] [ 3.99698 6.80761 4.87381 ] [ 4.10733 6.47995 7.72695 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ 1.746595 1.046291 0.222664 ] [ -2.522318 1.105189 -0.396867 ] [ 0.103845 0.424236 -1.235107 ] [ 1.342603 0.321392 1.103427 ] [ 2.047573 -1.347963 -12.555836 ] [ 0.888084 -0.387817 13.217283 ] [ -0.864202 -0.060544 -0.078622 ] [ -0.665669 -0.50988 -0.578581 ] [ -1.018144 2.04317 -2.858399 ] [ 0.181406 0.321134 3.325422 ] [ -0.080666 -0.189524 -0.366751 ] [ 0.861942 0.1369 0.377807 ] [ 0.335521 0.02229 -3.1041 ] [ 0.180729 -0.608724 1.990434 ] [ 0.462918 -1.248228 0.704358 ] [ 0.389917 0.068406 -0.171673 ] [ 0.46175 -0.134618 -0.164777 ] [ 1.803797 0.217755 -4.875956 ] [ -0.100829 0.882276 4.814568 ] [ -0.617855 -3.060041 -0.03649 ] [ -0.261676 0.531494 3.082841 ] [ -0.6061 0.486869 0.225863 ] [ -0.138984 0.267884 -0.373764 ] [ -3.970574 0.436121 -2.77368 ] [ 3.056642 -1.442738 -0.242767 ] [ -0.036227 -0.630697 0.46662 ] [ 0.095067 1.157639 -5.967324 ] [ -0.086988 0.124358 5.44552 ] [ -0.898505 2.40662 -2.107035 ] [ 0.417926 0.195931 1.939412 ] [ 0.616855 -0.688592 0.543378 ] [ 0.126114 -0.784511 0.154609 ] [ -0.262044 -0.206469 1.083517 ] [ 0.332797 -1.554112 0.135961 ] [ 0.91312 -0.036418 -0.752571 ] [ -0.502223 -1.00283 -0.020839 ] [ 0.125526 -0.135089 -1.57546 ] [ -0.43168 0.34181 -0.440791 ] [ 0.40036 -0.249234 1.059353 ] [ 4.789494 2.374552 0.625868 ] [ 0.074662 -0.672153 -0.314777 ] [ -1.896438 0.064063 -13.246939 ] [ -0.672064 -0.901676 13.200046 ] [ 1.381593 -1.23084 -0.18112 ] [ -3.454143 3.766013 15.752142 ] [ -0.013124 0.483586 0.414635 ] [ -0.199379 0.342451 0.013582 ] [ 0.672036 -1.749183 -15.639488 ] [ -0.98665 0.335269 1.231755 ] [ -0.192236 0.331659 -1.428365 ] [ -0.692387 0.26986 0.698004 ] [ -1.661364 0.030938 -1.225635 ] [ -1.862475 -1.38696 -4.398168 ] [ -0.100368 0.470509 4.784292 ] [ 0.511598 -0.383787 0.131396 ] [ 1.26905 -0.463956 -0.535899 ] [ -1.372431 1.354438 5.88804 ] [ 1.072174 -2.212424 -0.027395 ] [ 0.929056 0.657314 0.091979 ] [ -1.417622 0.305794 -5.71184 ] [ 1.424262 -2.168147 0.19246 ] [ -0.792622 1.681311 -7.708848 ] [ -0.045121 0.748673 8.174057 ] [ -0.591905 -0.307041 0.004571 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -242.72939 } }