{ "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" [ [ 0.037856 -0.4100635 2.8321205 ] [ -0.7565038 1.803945 -2.297937 ] [ -0.7483733 -0.2165456 -0.6877051 ] [ 1.2327875 -0.0075642 0.8015717 ] [ 1.8918941 -1.5220181 0.6592648 ] [ -0.6766514 1.7255782 -1.0054061 ] [ -2.2778282 -2.9151813 -1.7941655 ] [ 1.2968191 1.5418496 1.4922568 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.0651998656704e-11 -6.56994158156259e-10 4.537557289772396e-09 ] [ -1.212052711892209e-09 2.890238528021129e-09 -3.681700967804058e-09 ] [ -1.199026214769472e-09 -3.469443005155104e-10 -1.101825042302633e-09 ] [ 1.975143327187274e-09 -1.21191844949028e-11 1.284259448215658e-09 ] [ 3.031148521022459e-09 -2.438541836345075e-09 1.056258658178683e-09 ] [ -1.084115062443387e-09 2.764681072179779e-09 -1.610838161101067e-09 ] [ -3.649483118306279e-09 -4.670635362733744e-09 -2.874570041628927e-09 ] [ 2.077733260544909e-09 2.470315402262246e-09 2.390858976887611e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.083971 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.781289519813361e-18 } }