{ "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" [ [ 0.0378547 -0.4100635 2.8321191 ] [ -0.7565026 1.8039437 -2.2979343 ] [ -0.7483719 -0.2165449 -0.6877045 ] [ 1.2327861 -0.0075628 0.8015714 ] [ 1.8918919 -1.5220167 0.6592643 ] [ -0.6766491 1.7255768 -1.0054062 ] [ -2.2778259 -2.9151795 -1.7941643 ] [ 1.2968167 1.5418468 1.4922545 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.064991582707979e-11 -6.56994158156259e-10 4.537555046725109e-09 ] [ -1.212050789280248e-09 2.890236445191505e-09 -3.681696641927146e-09 ] [ -1.199023971722184e-09 -3.469431789918666e-10 -1.101824080996653e-09 ] [ 1.975141084139987e-09 -1.21169414476152e-11 1.284258967562667e-09 ] [ 3.031144996233865e-09 -2.438539593297788e-09 1.056257857090366e-09 ] [ -1.084111377437129e-09 2.764678829132491e-09 -1.610838321318731e-09 ] [ -3.64947943330002e-09 -4.670632478815802e-09 -2.874568119016966e-09 ] [ 2.077729415320987e-09 2.470310916167671e-09 2.390855291881353e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.084019 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.781297210261204e-18 } }