{ "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" [ 5.39143 0 0 ] "si-unit" "m" "si-value" [ 5.39143e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.144963 5.17841 0 ] "si-unit" "m" "si-value" [ 1.44963e-11 5.178410000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.144779 0.421312 5.38784 ] "si-unit" "m" "si-value" [ -1.44779e-11 4.21312e-11 5.38784e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.15223 0.0692904 -0.00428898 ] [ 1.42734 1.24068 1.17973 ] [ -0.332931 2.76994 2.80275 ] [ 1.2591 4.25807 3.96691 ] [ 2.6931 0.104845 2.7319 ] [ 4.09744 1.52781 4.38962 ] [ 2.50984 2.47613 -0.202936 ] [ 4.16866 4.11218 1.07304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5223e-11 6.929040000000001e-12 -4.288980000000001e-13 ] [ 1.42734e-10 1.24068e-10 1.17973e-10 ] [ -3.32931e-11 2.76994e-10 2.80275e-10 ] [ 1.2591e-10 4.25807e-10 3.96691e-10 ] [ 2.6931e-10 1.04845e-11 2.7319e-10 ] [ 4.09744e-10 1.52781e-10 4.38962e-10 ] [ 2.50984e-10 2.47613e-10 -2.02936e-11 ] [ 4.16866e-10 4.11218e-10 1.07304e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.9060801 -6.6813608 2.0276749 ] [ -3.0341829 4.2073426 6.9052641 ] [ 5.6627858 -0.6496629 -3.7190131 ] [ -2.7497486 -0.3260141 -1.9964734 ] [ 1.9528803 1.0329285 -0.3671792 ] [ -8.4804877 6.346761 -8.7918751 ] [ 5.3453145 0.786835 1.9462554 ] [ -3.6026415 -4.7168293 3.9953465 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.860406900752382e-09 -1.070472015708355e-08 3.248693346128287e-09 ] [ -4.861296945662358e-09 6.740906004952806e-09 1.106345279261904e-08 ] [ 9.072783092106996e-09 -1.040874718356679e-09 -5.958515890359906e-09 ] [ -4.405582956294213e-09 -5.223321733745393e-10 -3.198703031882535e-09 ] [ 3.12885918565891e-09 1.654933907292669e-09 -5.882859347308127e-10 ] [ -1.35872392378644e-08 1.016863217578247e-08 -1.408613685426641e-08 ] [ 8.564137993281392e-09 1.26064865181339e-09 3.118244925676324e-09 ] [ -5.77206803197871e-09 -7.557193691026574e-09 6.401250807033681e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -30.682419 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.915865479639764e-18 } }