{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.43103e-10 0.0 0.0 ] "source-value" [ 5.43103 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] "source-value" [ 0.00138287 5.43667 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] "source-value" [ -0.0279747 -0.147199 5.47761 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.493199450971102e-09 1.542138256288762e-10 -2.614707864853204e-09 ] [ 5.151645115226803e-10 2.413161896622006e-09 -6.148041960055565e-10 ] [ 8.269674682674721e-10 -1.768444101800141e-10 5.676558230616403e-10 ] [ 5.152962104409101e-10 -2.516431472456966e-10 6.570074508093734e-10 ] [ 5.403746004333062e-10 -8.65745910326667e-10 2.305839454807069e-09 ] [ -4.500051098783789e-10 -2.224471633378445e-09 -1.375144829061736e-09 ] [ -2.005387919420646e-09 7.166590498843507e-10 7.328339841772992e-11 ] [ -1.435609212336445e-09 2.346704892132519e-10 1.000870762824684e-09 ] ] "source-value" [ [ 0.9319818 0.0962527 -1.6319723 ] [ 0.3215404 1.5061772 -0.3837306 ] [ 0.5161525 -0.1103776 0.3543029 ] [ 0.3216226 -0.1570633 0.4100718 ] [ 0.3372753 -0.5403561 1.4391918 ] [ -0.2808711 -1.388406 -0.8582979 ] [ -1.2516647 0.4473034 0.0457399 ] [ -0.8960368 0.1464698 0.6246944 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.902941140823243e-18 "source-value" -36.843261 } }