{ "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" [ [ 1.293913 0.2437845 -7.5189312 ] [ 0.9191203 0.932906 4.5030483 ] [ -0.8126004 1.0659604 -0.1064899 ] [ -0.0929668 -0.4960748 1.7204901 ] [ -3.1356699 1.626723 2.4264015 ] [ 1.262498 0.5860552 1.3971192 ] [ 0.8297184 3.5961213 -3.1391994 ] [ -0.2640127 -7.5554757 0.7175614 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.073077157949191e-09 3.905858264134176e-10 -1.204665578204369e-08 ] [ 1.472593056362682e-09 1.494680182604045e-09 7.214678708593185e-09 ] [ -1.301929362932728e-09 1.707856831578617e-09 -1.706156281313299e-10 ] [ -1.489492334705894e-10 -7.947994467280358e-10 2.756529014537854e-09 ] [ -5.023897004326274e-09 2.606297559117638e-09 3.887523755974051e-09 ] [ 2.022744779406758e-09 9.389639399382681e-10 2.238431718710799e-09 ] [ 1.329355422327583e-09 5.761621472420903e-09 -5.029551886709388e-09 ] [ -4.229949755342842e-10 -1.210520652556251e-08 1.149660099068517e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.94772 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.599241993426457e-18 } }