{ "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" [ [ 0.5114093 -0.5446975 -2.2294563 ] [ -0.2639418 -0.0193144 0.9408711 ] [ -0.0658438 -0.6698469 -1.4522711 ] [ -2.0119739 -1.6065909 5.5532355 ] [ 2.3374589 1.3610136 -3.4389867 ] [ -1.0085329 0.6319346 2.9631691 ] [ 0.5302146 -0.2067237 -3.3115787 ] [ -0.0287904 1.0542252 0.9750172 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.193680308702961e-10 -8.727016070982148e-10 -3.571982790384094e-09 ] [ -4.228813846959012e-10 -3.094508037972959e-11 1.507441692025877e-09 ] [ -1.054933978537692e-10 -1.073213051537334e-09 -2.326794822653477e-09 ] [ -3.223537570797852e-09 -2.57404240037703e-09 8.897264161199307e-09 ] [ 3.745022032515343e-09 2.180584188476222e-09 -5.509864135376768e-09 ] [ -1.615847847000259e-09 1.012470850336136e-09 4.747520294610809e-09 ] [ 8.494974431256563e-10 -3.312078818340258e-10 -5.305734014792095e-09 ] [ -4.61273061635136e-11 1.689054982413977e-09 1.562149775588105e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.3757 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.66781199513938e-18 } }