{ "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" [ 10.8883 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.08893 9.25118 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.000292429 -0.0106915 10.0599 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ 0.0165546 0.0046381 0.128623 ] [ -0.0234788 -0.0452155 2.54548 ] [ -0.00488727 -0.0046248 5.13702 ] [ 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] [ 4.3364 2.25585 2.61036 ] [ 4.00854 2.31149 4.79378 ] [ 4.15702 2.19838 8.05353 ] [ 2.53922 4.31267 -0.130544 ] [ 2.70029 4.51493 2.3599 ] [ 2.72561 4.39358 4.81989 ] [ 2.34967 4.56726 7.95271 ] [ 1.36939 6.77949 0.133615 ] [ 1.51397 6.80918 2.22211 ] [ 1.61838 7.05731 5.27317 ] [ 1.40236 6.74712 8.09255 ] [ 7.86412 -0.181995 -0.31195 ] [ 7.87067 -0.599447 2.54961 ] [ 7.76506 -0.0197608 5.58805 ] [ 7.79642 0.0283804 7.68034 ] [ 6.64311 2.16023 0.00354923 ] [ 6.431 1.94137 2.84412 ] [ 6.70356 2.04741 5.1608 ] [ 6.74068 1.76825 7.94802 ] [ 5.37861 4.50506 -0.384157 ] [ 5.18526 4.8805 2.50278 ] [ 5.35878 4.63189 5.44052 ] [ 5.37541 4.43597 7.87672 ] [ 4.13979 6.76291 -0.435976 ] [ 3.98975 6.69094 2.61181 ] [ 4.38282 6.87505 5.19986 ] [ 3.92995 7.04105 8.08633 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ -2.73498 -0.025074 -0.507324 ] [ -0.238426 -0.172955 0.45022 ] [ -0.519582 -0.393744 -0.911245 ] [ -0.256537 0.467519 1.284024 ] [ -0.057744 -0.087996 -3.438526 ] [ -0.240437 0.036685 2.215405 ] [ -0.911352 0.120037 1.285708 ] [ 0.085722 -0.288894 -0.132747 ] [ -0.300882 -1.27968 1.22938 ] [ 1.126319 -2.799579 -0.455124 ] [ 0.552495 -2.75298 0.557082 ] [ -0.398987 -0.677527 -0.602644 ] [ -0.691265 0.012343 0.947892 ] [ -1.727453 2.491892 0.308607 ] [ -1.506386 2.429638 -0.257522 ] [ 0.129415 -0.221816 -0.910398 ] [ 2.350533 -1.929092 0.512912 ] [ 0.043327 -0.067469 2.719411 ] [ -0.351771 0.42799 -0.023165 ] [ 0.494813 -0.305715 -3.148681 ] [ -0.032973 0.33305 8.88291 ] [ 0.091299 -0.106601 -0.041526 ] [ 1.05868 0.173409 0.371331 ] [ -1.336402 0.215146 -9.55966 ] [ -1.024126 -0.379586 9.248329 ] [ -0.250089 0.259532 0.164516 ] [ 0.795499 -1.332233 -1.230843 ] [ -2.455429 0.35848 -8.460755 ] [ 0.207657 0.227513 -0.741788 ] [ 0.215836 -0.068133 1.028486 ] [ -0.201693 1.374304 -0.299548 ] [ -0.633988 -0.073832 -0.12664 ] [ -0.566923 -0.008993 -2.446546 ] [ -0.180834 -0.532437 2.690209 ] [ -0.033693 -0.04358 -0.858063 ] [ -1.124942 1.355343 0.032434 ] [ -0.151854 0.225242 1.552604 ] [ -3.077186 0.947684 -2.183793 ] [ -0.078727 -0.401756 2.549982 ] [ 0.202355 -0.177117 -2.492431 ] [ 1.501335 -0.554684 6.526778 ] [ -0.275304 -0.209792 0.116703 ] [ -0.41368 0.601553 0.712429 ] [ 2.53085 0.234956 -6.554676 ] [ -0.109084 -0.008706 -0.032382 ] [ -0.736732 -1.148093 4.11018 ] [ 0.101712 -0.370564 -0.217202 ] [ 0.447078 0.113681 -4.471209 ] [ 1.55734 -0.422324 4.95577 ] [ 0.630862 2.47956 0.317393 ] [ 0.797752 -0.543609 -4.526205 ] [ 3.099834 -3.064027 -0.859078 ] [ 0.713966 1.111667 3.111709 ] [ 3.616973 -0.337765 -0.680869 ] [ -0.255135 0.722398 0.757891 ] [ -2.357828 4.448298 -2.488405 ] [ 0.296759 0.483427 15.189663 ] [ 1.897552 -1.960817 -0.083847 ] [ 0.087743 -0.24925 -0.55012 ] [ 0.014008 -0.293063 -14.779921 ] [ 4.544329 -5.96525 33.011619 ] [ 0.147653 1.438659 0.429953 ] [ -0.357117 0.208719 -0.120557 ] [ -3.750155 5.956004 -33.078091 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -237.050872 } }