{ "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" [ 5.47613 0 0 ] "si-unit" "m" "si-value" [ 5.476130000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968569 5.44973 0 ] "si-unit" "m" "si-value" [ -9.68569e-12 5.44973e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0334568 0.0277585 5.60527 ] "si-unit" "m" "si-value" [ -3.34568e-12 2.77585e-12 5.60527e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000509808 0.0158858 0.00549688 ] [ 1.34999 1.33014 1.19729 ] [ 0.0276425 2.69054 2.64154 ] [ 1.36667 4.13087 4.06954 ] [ 2.77416 0.0351576 2.5647 ] [ 4.07457 1.31666 4.03649 ] [ 2.84869 2.60665 0.046702 ] [ 4.10529 4.27129 1.35792 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.098080000000001e-14 1.58858e-12 5.49688e-13 ] [ 1.34999e-10 1.33014e-10 1.19729e-10 ] [ 2.76425e-12 2.69054e-10 2.64154e-10 ] [ 1.36667e-10 4.13087e-10 4.06954e-10 ] [ 2.77416e-10 3.51576e-12 2.5647e-10 ] [ 4.07457e-10 1.31666e-10 4.03649e-10 ] [ 2.84869e-10 2.60665e-10 4.6702e-12 ] [ 4.10529e-10 4.27129e-10 1.35792e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5548088 -0.1713575 -2.5821545 ] [ 0.3697927 0.4555137 1.3947584 ] [ -0.319737 0.6214173 0.3281269 ] [ -0.004059 -0.5764984 0.842583 ] [ -0.8676316 0.2331401 1.1320802 ] [ 0.5327824 0.4863102 0.5923516 ] [ -0.2743404 1.5377297 -1.7218971 ] [ 0.008384 -2.5862551 0.0141515 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.889016883741031e-10 -2.74544980298736e-10 -4.137067571193514e-09 ] [ 5.924732184825081e-10 7.29813400594105e-10 2.234649300144415e-09 ] [ -5.122751462047296e-10 9.956202698206597e-10 5.257172478355795e-10 ] [ -6.503234903827201e-12 -9.236522584086067e-10 1.349966783683526e-09 ] [ -1.390099064987297e-09 3.735316175909741e-10 1.813792429310588e-09 ] [ 8.536115052537139e-10 7.791548328965722e-10 9.490518848134732e-10 ] [ -4.395417750209203e-10 2.463714574449798e-09 -2.75878327704332e-09 ] [ 1.34326487887872e-11 -4.143637456644766e-09 2.26732024492512e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -22.862548 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.66298398975178e-18 } }