{ "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" [ 10.7298088 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7298088 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7298088 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ 1.66844886353 0.1419294 1.7363018 ] [ 3.93309853019 0.2112753 2.4546448 ] [ 5.23191968046 1.6786048 1.2144198 ] [ 2.24762363875 3.3413878 1.9420518 ] [ 0.5654290424439999 4.8578508 1.3851828 ] [ 3.47285206024 2.6977448 0.0406933 ] [ 1.02754628021 1.8214628 3.2540678 ] [ 2.98773026009 1.1381618 4.4606488 ] [ 3.64736040146 4.2978338 3.5620408 ] [ 2.03266521177 3.9271768 7.3195088 ] [ 3.51499203997 3.1477048 5.5846608 ] [ 2.0529340919 2.1088718 8.953426799999999 ] [ 0.09468003781499999 0.7732303 9.3045738 ] [ 3.26496274913 0.1784914 8.3028798 ] [ 4.866962543410001 4.5477878 10.3401388 ] [ 0.96618666239 7.2319208 1.5858908 ] [ 3.11311239598 7.886324800000001 2.4479458 ] [ 2.80630500907 8.005689799999999 0.0661633 ] [ 2.53403652737 6.2517798 4.0143838 ] [ 1.31753357864 9.1284358 3.2458628 ] [ 2.82556884401 9.5761878 5.1023788 ] [ 0.805837196418 7.800345800000001 7.2972508 ] [ 1.40540525031 5.8901958 6.0241268 ] [ 1.46919277677 10.0479188 6.8670698 ] [ 5.04755129386 9.9102298 5.8763438 ] [ 1.65366321808 5.942502800000001 10.3128588 ] [ 4.849570039 7.6443448 8.095805799999999 ] [ 5.02640388828 5.3074078 8.1344028 ] [ 1.21795252111 9.761775799999999 10.4371188 ] [ 4.52170145387 9.405146799999999 9.725752799999999 ] [ 8.120157917139998 0.09181689999999999 2.0262558 ] [ 9.530906758599999 1.2997398 0.4588587 ] [ 8.1197591932 4.2470558 1.0041018 ] [ 6.85065067175 2.9696278 2.4821318 ] [ 5.52208376879 0.6750212 4.2143298 ] [ 8.003722656879999 0.3413853 4.3873688 ] [ 7.97167389822 2.6655358 4.546196800000001 ] [ 5.88309656882 4.933828800000001 3.2544528 ] [ 10.075758853 3.4435188 3.7346038 ] [ 5.79780762041 2.5317518 5.688219800000001 ] [ 5.33231242 0.9520477999999999 7.3822398 ] [ 7.50798165249 0.09776239999999999 7.7495218 ] [ 9.581986278999999 1.1555148 7.301165800000001 ] [ 7.32137645539 4.693563800000001 7.971604800000001 ] [ 10.4785787766 3.3727618 7.0236418 ] [ 10.0067350138 5.067158800000001 5.4223188 ] [ 7.61077272993 1.1951028 9.8150078 ] [ 6.90445098869 3.4603578 9.9187028 ] [ 9.574854401309999 4.7713658 8.691779799999999 ] [ 10.0304833343 3.5524598 10.6413488 ] [ 7.63875994089 6.4815268 0.5844848 ] [ 6.74890386924 7.942141800000001 2.2596058 ] [ 5.46834733884 6.118640800000001 1.3014128 ] [ 6.32359778221 10.4976388 0.4016222 ] [ 8.999245194179998 8.6892228 2.4033408 ] [ 10.1068303358 8.4516458 0.2717152 ] [ 7.09092271404 6.7413008 4.2549348 ] [ 9.422659970529999 7.0366368 4.1416958 ] [ 6.263411171710001 7.952387799999999 6.195621800000001 ] [ 7.92617942902 8.4820248 7.7524188 ] [ 9.597402640579999 8.374361799999999 6.0845518 ] [ 10.2373680415 10.5670388 5.4768888 ] [ 6.82096550777 6.7481858 9.084289799999999 ] [ 10.5255801977 6.8837118 9.2465418 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ -0.436102 0.028111 -0.030475 ] [ 0.374142 -0.471389 0.173364 ] [ 0.146334 -0.010113 0.007281 ] [ 0.3208 0.321538 0.014195 ] [ 0.147184 -0.232481 0.863828 ] [ -0.422216 0.585706 0.130237 ] [ -0.061653 -0.061584 0.133077 ] [ -0.786088 -0.030652 0.406181 ] [ 0.109892 0.006206 0.418057 ] [ 0.625462 -0.411501 -0.080912 ] [ -0.018628 0.008649 0.215875 ] [ 0.520567 0.272084 0.364087 ] [ 0.487064 0.236528 -0.423679 ] [ -0.120093 0.197823 0.064871 ] [ -0.940407 -0.170412 0.10833 ] [ -1.03401 -0.675671 1.070519 ] [ 1.375551 0.209506 -0.20275 ] [ 0.715403 -0.095807 -0.558537 ] [ 0.021644 -0.220352 -0.273232 ] [ -1.101351 0.537591 0.698355 ] [ -0.194759 0.108776 -0.29784 ] [ 0.058521 -0.168452 0.117607 ] [ 0.160135 0.719552 0.572481 ] [ 0.251378 -0.484679 0.792697 ] [ -0.187345 -1.11182 -0.383123 ] [ 1.217012 -0.215799 -1.065821 ] [ -0.540051 0.216343 -0.180815 ] [ -1.158987 -0.063061 -0.214127 ] [ 0.100314 0.21477 0.036351 ] [ 0.104047 -0.325256 0.056369 ] [ 0.018976 0.257178 -0.099948 ] [ 0.124283 0.22824 0.124103 ] [ 0.303182 0.088885 0.28491 ] [ 0.055747 -0.272151 -0.032775 ] [ 0.625605 -0.085793 -0.610417 ] [ 0.258787 -0.405328 0.138379 ] [ -0.134629 0.139002 -0.111734 ] [ -0.554959 0.204788 0.231532 ] [ -0.069237 0.352126 -0.320196 ] [ -0.016225 0.446679 0.128396 ] [ 0.436163 -0.181986 0.199519 ] [ -0.133206 0.028352 0.155677 ] [ 0.068381 0.126503 -0.095179 ] [ 0.415524 -0.194752 -0.587895 ] [ -0.352278 -0.044376 -0.216922 ] [ 0.281247 -0.01497 -0.715222 ] [ -0.184946 0.294593 -0.112566 ] [ -0.339622 -0.376574 -0.257884 ] [ 0.152161 0.044734 -0.137225 ] [ 0.193284 -0.016099 0.429445 ] [ 0.767964 0.459957 -0.422795 ] [ -0.673143 0.828722 -0.230692 ] [ -1.403069 -0.082976 -0.073424 ] [ -0.358087 -0.672497 0.255204 ] [ 0.887208 -0.14061 -0.503912 ] [ -0.536314 -0.377919 0.386595 ] [ -0.750904 -0.375938 0.56279 ] [ -0.129772 -0.013629 0.18288 ] [ -0.235449 0.131917 -0.416917 ] [ 0.177059 -0.080813 -0.069487 ] [ 0.285408 0.12248 0.117857 ] [ -0.214674 -0.036639 -0.767527 ] [ 1.181313 0.743185 0.532352 ] [ 0.120465 -0.038442 -0.479375 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -259.896401 } }