{ "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" [ [ -1.8150562 0.0689273 0.4235307 ] [ 1.0785212 -0.9241902 -0.9311369 ] [ -0.2144137 -0.1470457 2.6921401 ] [ -1.7438819 -1.8633929 2.228124 ] [ 1.658183 2.6218883 -0.2940851 ] [ -1.0697996 0.4419679 -0.1977131 ] [ 0.6979461 -0.3944234 -2.0209862 ] [ 1.4085012 0.1962687 -1.8998734 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.908040609078089e-09 1.104337085948678e-10 6.785709857310586e-10 ] [ 1.727981451677161e-09 -1.480715931612476e-09 -1.491845771944187e-09 ] [ -3.43528617319225e-10 -2.355931827291706e-10 4.313283928138175e-09 ] [ -2.794006809616284e-09 -2.985484539744712e-09 3.56984818104338e-09 ] [ 2.656702035608006e-09 4.200728136609057e-09 -4.711762717456301e-10 ] [ -1.714007908061192e-09 7.081106365240723e-10 -3.167713064458925e-10 ] [ 1.118232923998539e-09 -6.319359501764467e-10 -3.237976840599433e-09 ] [ 2.256667693008745e-09 3.14457122534809e-10 -3.043932743959807e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.081287 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.780859447977498e-18 } }