{ "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" [ 5.45864 0 0 ] "si-unit" "m" "si-value" [ 5.45864e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103818 5.38839 0 ] "si-unit" "m" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.113176 0.0705962 5.39093 ] "si-unit" "m" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000432489 -6.72518e-05 0.0122781 ] [ 1.51992 1.38746 1.2495 ] [ 0.155886 2.80678 2.64329 ] [ 1.56947 4.13166 3.92938 ] [ 2.77407 -0.0290867 2.65575 ] [ 4.2526 1.27774 3.82666 ] [ 2.78396 2.65139 -0.0871139 ] [ 4.18696 3.99308 1.34271 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.32489e-14 -6.72518e-15 1.22781e-12 ] [ 1.51992e-10 1.38746e-10 1.2495e-10 ] [ 1.55886e-11 2.80678e-10 2.64329e-10 ] [ 1.56947e-10 4.13166e-10 3.92938e-10 ] [ 2.77407e-10 -2.90867e-12 2.65575e-10 ] [ 4.2526e-10 1.27774e-10 3.82666e-10 ] [ 2.78396e-10 2.65139e-10 -8.71139e-12 ] [ 4.18696e-10 3.99308e-10 1.34271e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5949705000000001 -0.15949700000000003 -1.4080993000000002 ] [ -2.2668068000000003 -0.7900766000000002 1.2733525000000003 ] [ 0.4887343000000001 -2.0898053000000005 -0.8030287000000003 ] [ -1.3834396000000002 -1.1351776000000002 2.6186962000000005 ] [ 1.0933888000000003 1.2229800000000002 -2.0135118000000003 ] [ -0.20982840000000005 1.8275314000000005 3.149142200000001 ] [ 1.8249964000000005 0.4519244000000001 -1.3623911000000002 ] [ -0.14201510000000003 0.6721207000000001 -1.4541600000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.532478251656867e-10 -2.555423644877377e-10 -2.256023778224846e-09 ] [ -3.631824858830462e-09 -1.265842257161154e-09 2.040135605537232e-09 ] [ 7.830386692430536e-10 -3.348237193683931e-09 -1.286593808971417e-09 ] [ -2.216514583408904e-09 -1.818755011175855e-09 4.195613828617802e-09 ] [ 1.751801972804568e-09 1.959429963705984e-09 -3.226001531664926e-09 ] [ -3.361821568598708e-10 2.928028082857894e-09 5.04548200841468e-09 ] [ 2.923966565124166e-09 7.240627080490677e-10 -2.182791168805996e-09 ] [ -2.275332730205741e-10 1.076856071895731e-09 -2.329821154902528e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.115173 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.78628858367474e-18 } }