{ "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" [ [ 0.7395703 -0.092137 -3.8764818 ] [ 0.6273246 0.7377181 2.1433236 ] [ -0.4574297 0.9146322 0.5178495 ] [ -0.0867596 -0.8142278 0.9160466 ] [ -1.341398 0.4402174 1.787306 ] [ 0.7547354 0.7014414 0.8544192 ] [ -0.2212254 2.0608652 -2.3806372 ] [ -0.0148177 -3.9485095 0.038174 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.18492225386037e-09 -1.47619748526858e-10 -6.210808562086261e-09 ] [ 1.005084816053396e-09 1.181954702298875e-09 3.433982991020762e-09 ] [ -7.328831770376297e-10 1.465402339544015e-09 8.296863688285829e-10 ] [ -1.390042038951864e-10 -1.304536755913225e-09 1.467668458175144e-09 ] [ -2.149156532494332e-09 7.053060321602315e-10 2.863579911008004e-09 ] [ 1.209219422732643e-09 1.123833021200248e-09 1.368930477880973e-09 ] [ -3.544421667273036e-10 3.301870069263736e-09 -3.814201295871184e-09 ] [ -2.37405727096218e-11 -6.326209660027023e-09 6.1161490826316e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -35.546174 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.695124941089831e-18 } }