{ "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" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0699732 -0.1534303 1.905249 ] [ -0.6307671 1.2558722 -1.5453704 ] [ -0.5358489 -0.1883127 -0.5076846 ] [ 0.8460904 -0.0624954 0.5283834 ] [ 1.367927 -1.0468959 0.5003584 ] [ -0.5356353 1.1514872 -0.7005438 ] [ -1.5581824 -2.0067377 -1.2670556 ] [ 0.9764432 1.0505126 1.0866635 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.121094260462088e-10 -2.458224416076102e-10 3.052545429751866e-09 ] [ -1.010600309115941e-09 2.012129094130174e-09 -2.475956345755233e-09 ] [ -8.585245869346025e-10 -3.017102078254518e-10 -8.134004035616364e-10 ] [ 1.355586269131713e-09 -1.001286696124836e-10 8.465635372734755e-10 ] [ 2.191660676417717e-09 -1.6773121492104e-09 8.016625371056254e-10 ] [ -8.581823620055802e-10 1.844885886190085e-09 -1.122394907453569e-09 ] [ -2.496483432790042e-09 -3.215148253506902e-09 -2.03004687629885e-09 ] [ 1.564434479468188e-09 1.683106741442588e-09 1.741026868720659e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.414215 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.83420044184523e-18 } }