{ "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" [ 5.47225 0 0 ] "si-unit" "m" "si-value" [ 5.47225e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0720088 5.55574 0 ] "si-unit" "m" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0610026 -0.0268755 5.37267 ] "si-unit" "m" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0205094 -0.0758047 0.142316 ] [ 1.30951 1.38319 1.48801 ] [ -0.0602099 2.69484 2.70363 ] [ 1.30902 4.05591 4.11478 ] [ 2.76224 0.0853385 2.86654 ] [ 4.01949 1.17816 4.04456 ] [ 2.72232 2.71295 0.0698342 ] [ 4.15368 4.12703 1.42088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.05094e-12 -7.580470000000001e-12 1.42316e-11 ] [ 1.30951e-10 1.38319e-10 1.48801e-10 ] [ -6.02099e-12 2.69484e-10 2.70363e-10 ] [ 1.30902e-10 4.05591e-10 4.11478e-10 ] [ 2.76224e-10 8.53385e-12 2.86654e-10 ] [ 4.01949e-10 1.17816e-10 4.04456e-10 ] [ 2.72232e-10 2.71295e-10 6.983420000000001e-12 ] [ 4.15368e-10 4.127030000000001e-10 1.42088e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5920878000000002 0.2767276000000001 -1.0703356000000002 ] [ 1.0708772000000002 -0.5400742000000001 -0.8234362000000002 ] [ -0.22685570000000005 0.25396900000000006 1.3017889000000002 ] [ -0.10900280000000002 0.5312701000000001 0.03389530000000001 ] [ -2.1381265000000003 -3.269359100000001 -2.5701206000000005 ] [ 2.2655269000000002 3.0395418000000007 2.5734596000000005 ] [ 0.28164390000000006 -0.14647410000000002 0.09949390000000002 ] [ -1.7361507000000005 -0.14560100000000004 0.4552547000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.486292384364653e-10 4.433664947028985e-10 -1.71486668885837e-09 ] [ 1.715734427723345e-09 -8.652942638662428e-10 -1.319290239229751e-09 ] [ -3.634629018297138e-10 4.069031975603461e-10 2.085695757980563e-09 ] [ -1.746417392005752e-10 8.511885405628434e-10 5.430625766242021e-11 ] [ -3.425656318836201e-09 -5.23809075817527e-09 -4.117787171882061e-09 ] [ 3.629774262878454e-09 4.869882850026302e-09 4.123136839662987e-09 ] [ 4.512432756886327e-10 -2.346773805061794e-10 1.594068018055326e-10 ] [ -2.781620084642744e-09 -2.33278520087034e-10 7.293984428586799e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.987315 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.765803521339771e-18 } }