{ "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" [ 5.37815 0 0 ] "si-unit" "m" "si-value" [ 5.37815e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0312137 5.76118 0 ] "si-unit" "m" "si-value" [ 3.12137e-12 5.761180000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.42726 0.0546964 4.8758 ] "si-unit" "m" "si-value" [ 4.2726e-11 5.469640000000001e-12 4.8758e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0437527 -0.0672423 0.175944 ] [ 1.47307 1.39309 1.21037 ] [ 0.198849 2.42305 2.74052 ] [ 1.63292 4.13291 3.99992 ] [ 2.96978 -0.0953104 2.87815 ] [ 4.41344 1.46946 3.21135 ] [ 3.02165 2.84712 -0.591788 ] [ 4.21555 4.28981 0.802839 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.37527e-12 -6.724230000000001e-12 1.75944e-11 ] [ 1.47307e-10 1.39309e-10 1.21037e-10 ] [ 1.98849e-11 2.42305e-10 2.74052e-10 ] [ 1.63292e-10 4.13291e-10 3.99992e-10 ] [ 2.96978e-10 -9.531040000000001e-12 2.878150000000001e-10 ] [ 4.41344e-10 1.46946e-10 3.21135e-10 ] [ 3.02165e-10 2.84712e-10 -5.91788e-11 ] [ 4.215550000000001e-10 4.28981e-10 8.02839e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 5.1222375 8.1871663 -4.8911723 ] [ 1.6496661 -0.9758599 -0.0162029 ] [ 25.827952 24.0064196 -12.2564433 ] [ -0.6374616 -0.5042558 -1.4790479 ] [ -1.2535478 -1.6260229 -3.5324031 ] [ -22.3210065 -23.8976193 11.2965469 ] [ -2.3897876 2.284409 4.5720209 ] [ -5.9980523 -7.474237 6.3067017 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.20672916868504e-09 1.311728643646164e-08 -7.836521907364565e-09 ] [ 2.643056457546315e-09 -1.563499916956226e-09 -2.595990756916032e-11 ] [ 4.138094085754461e-08 3.846252423223489e-08 -1.96369869094208e-08 ] [ -1.021326072177761e-09 -8.079068536628007e-10 -2.369695966423337e-09 ] [ -2.008404978215274e-09 -2.605175875265416e-09 -5.659533662061444e-09 ] [ -3.576219476702484e-08 -3.828820693523887e-08 1.809906333895071e-08 ] [ -3.828861821397742e-09 3.660026692145108e-09 7.325184995788975e-09 ] [ -9.60993916539567e-09 -1.197504777971833e-08 1.010445001809961e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -21.445192 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.435898525096719e-18 } }