{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0093018 -0.0738989 2.2382011 ] [ -0.6031565 1.3330303 -1.7513196 ] [ -0.4115372 -0.0707849 -0.6013986 ] [ 0.9722022 -0.0596028 0.743818 ] [ 1.4722798 -1.0201901 0.430792 ] [ -0.4556997 1.2666389 -0.7653403 ] [ -1.839133 -2.3181497 -1.4712534 ] [ 0.8557426 0.9429572 1.176501 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.490312649135744e-11 -1.183990898828371e-10 3.585993475068843e-09 ] [ -9.663632429835552e-10 2.13574998147801e-09 -2.805923318668808e-09 ] [ -6.593552804294937e-10 -1.134099118856659e-10 -9.63546776701851e-10 ] [ 1.557639635530326e-09 -9.549421269421823e-11 1.191727809730215e-09 ] [ 2.3588522748361e-09 -1.634524726991614e-09 6.902048708276736e-10 ] [ -7.301114054455738e-10 2.029379232575829e-09 -1.226210335616058e-09 ] [ -2.946615895141766e-09 -3.714085252854534e-09 -2.357207800752511e-09 ] [ 1.371050787142606e-09 1.51078398025503e-09 1.884962396547821e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.042989 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.774723431955157e-18 } }