{ "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" [ 5.43079 0 0 ] "si-unit" "m" "si-value" [ 5.43079e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0839771 5.43297 0 ] "si-unit" "m" "si-value" [ -8.397710000000001e-12 5.432970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0398452 0.0785902 5.46584 ] "si-unit" "m" "si-value" [ 3.98452e-12 7.85902e-12 5.46584e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0520054 -0.0817533 0.0407426 ] [ 1.35344 1.3045 1.28849 ] [ 0.00819716 2.75378 2.6961 ] [ 1.33497 4.09637 3.90076 ] [ 2.57675 -0.0301907 2.72622 ] [ 4.09447 1.46101 4.06258 ] [ 2.65601 2.62697 -0.116016 ] [ 4.03834 4.01266 1.20961 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.20054e-12 -8.17533e-12 4.07426e-12 ] [ 1.35344e-10 1.3045e-10 1.28849e-10 ] [ 8.197160000000001e-13 2.75378e-10 2.6961e-10 ] [ 1.33497e-10 4.09637e-10 3.90076e-10 ] [ 2.57675e-10 -3.01907e-12 2.72622e-10 ] [ 4.09447e-10 1.46101e-10 4.06258e-10 ] [ 2.656010000000001e-10 2.62697e-10 -1.16016e-11 ] [ 4.03834e-10 4.012660000000001e-10 1.20961e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2408695 0.7942329 -2.6116026 ] [ -0.8055962 0.3356911 0.6352632 ] [ -0.3440282 -0.6161319 -1.5756299 ] [ -1.3446175 -0.504957 3.3509166 ] [ 3.5755402 1.1500381 -1.8298457 ] [ -0.4404891 -1.9724126 -0.1495479 ] [ -0.1026895 0.9650076 -0.141413 ] [ -1.7789891 -0.1514682 2.3218593 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.988092118743263e-09 1.272501394334058e-09 -4.184248663013648e-09 ] [ -1.29070740807919e-09 5.378364366617574e-10 1.017803855480069e-09 ] [ -5.511939434770787e-10 -9.871521336420246e-10 -2.524437409611756e-09 ] [ -2.154314740167495e-09 -8.090303065747378e-10 5.368760279002724e-09 ] [ 5.728646962367686e-09 1.842564172029755e-09 -2.931736024365373e-09 ] [ -7.057413435516894e-10 -3.160153380327188e-09 -2.396021510437686e-10 ] [ -1.64526717457143e-10 1.546112628352418e-09 -2.26568604343842e-10 ] [ -2.850254768160689e-09 -2.426788108340388e-10 3.720028717895596e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.57386529230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.539343911839221e-18 } }