{ "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" [ [ 0.7281816 -0.7571736 -2.307125 ] [ -0.2069281 0.0026623 0.6296334 ] [ -0.0073052 -0.4799906 -0.9957291 ] [ -1.2635421 -0.6795023 4.6770994 ] [ 1.42919 0.553041 -2.2146133 ] [ -1.1485495 0.8936031 2.8655301 ] [ 0.6220604 -0.3774809 -3.3793085 ] [ -0.1531071 0.8448411 0.7245129 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.166675544828734e-09 -1.213125849801662e-09 -3.69642176671725e-09 ] [ -3.315353667380154e-10 4.2654748526982e-12 1.008783921465976e-09 ] [ -1.17042207466968e-11 -7.690297238596402e-10 -1.595333897813849e-09 ] [ -2.024417628695291e-09 -1.088682707809258e-09 7.493539373575419e-09 ] [ 2.28981482354646e-09 8.86069367843994e-10 -3.548201682605632e-09 ] [ -1.840179171892383e-09 1.431710006889965e-09 4.591085370243682e-09 ] [ 9.966506378166934e-10 -6.047910777612906e-10 -5.414249117777588e-09 ] [ -2.453046181195014e-10 1.353584669862857e-09 1.160797639411578e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.21302129230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.481530329307311e-18 } }