{ "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" [ 5.48715 0 0 ] "si-unit" "m" "si-value" [ 5.48715e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0853536 5.45185 0 ] "si-unit" "m" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0925937 0.0373061 5.50955 ] "si-unit" "m" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3776586 8.1410785 -7.0298798 ] [ -0.1384354 0.4356333 -3.3834581 ] [ 0.1354155 0.3700751 -2.8327922 ] [ -5.5556743 -0.9843232 6.8765291 ] [ 2.952866 1.2686606 -6.5677732 ] [ 8.1710031 -6.4788359 2.7485042 ] [ -2.9303615 3.5186253 7.0681468 ] [ -5.0124719 -6.2709138 3.1207233 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.809429021164059e-09 1.304344564079753e-08 -1.126310906259418e-08 ] [ -2.217979613710963e-10 6.979614885019527e-10 -5.420897465276389e-09 ] [ 2.169595481939424e-10 5.929256731602221e-10 -4.538633434424598e-09 ] [ -8.901171476239405e-09 -1.577059618351042e-09 1.101741415627087e-08 ] [ 4.731012869555213e-09 2.032618353050101e-09 -1.05227326717568e-08 ] [ 1.309139013530432e-08 -1.038023940897973e-08 4.403589171410608e-09 ] [ -4.694956685792419e-09 5.637459193015386e-09 1.132441955534233e-08 ] [ -8.030865290596956e-09 -1.004711148141209e-08 4.999949911245825e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.67875 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.3517950072568e-18 } }