{ "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" [ 5.46497 0 0 ] "si-unit" "m" "si-value" [ 5.46497e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00264453 5.45437 0 ] "si-unit" "m" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00434361 0.134648 5.52148 ] "si-unit" "m" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000601708 -0.00129581 -0.00103934 ] [ 1.36071 1.38338 1.29931 ] [ 0.0379757 2.81246 2.65752 ] [ 1.43056 4.2109 3.80234 ] [ 2.71672 0.059655 2.71923 ] [ 4.18219 1.40754 3.91392 ] [ 2.71688 2.7266 0.0375018 ] [ 4.08381 4.07468 1.29537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.017079999999999e-14 -1.29581e-13 -1.03934e-13 ] [ 1.36071e-10 1.38338e-10 1.29931e-10 ] [ 3.79757e-12 2.812460000000001e-10 2.65752e-10 ] [ 1.43056e-10 4.2109e-10 3.80234e-10 ] [ 2.71672e-10 5.9655e-12 2.71923e-10 ] [ 4.18219e-10 1.40754e-10 3.91392e-10 ] [ 2.71688e-10 2.7266e-10 3.75018e-12 ] [ 4.08381e-10 4.07468e-10 1.29537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5149981 -0.5580182 -2.4266878 ] [ -0.3020067 -0.0280015 0.9823647 ] [ -0.0633718 -0.6819341 -1.441197 ] [ -2.0706567 -1.6598629 5.7185868 ] [ 2.4413292 1.4503352 -3.4464607 ] [ -1.0104315 0.6411241 3.1172047 ] [ 0.5494749 -0.2290792 -3.5179029 ] [ -0.0593354 1.0654366 1.0140922 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.251179223743954e-10 -8.940437213867388e-10 -3.887982491172865e-09 ] [ -4.838680780514478e-10 -4.486334901695099e-11 1.57392176840642e-09 ] [ -1.015328172145212e-10 -1.092578880947819e-09 -2.309052158390898e-09 ] [ -3.317557781775547e-09 -2.659393554023478e-09 9.162186150460829e-09 ] [ 3.911440600141913e-09 2.323693168907716e-09 -5.521838803539283e-09 ] [ -1.618889739557571e-09 1.027194052514279e-09 4.994312533734979e-09 ] [ 8.803558457494865e-10 -3.670253415754128e-10 -5.636301827060838e-09 ] [ -9.50657914490436e-11 1.707017625528404e-09 1.624754827561655e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.35108 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.663867436266472e-18 } }