{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.29616e-10 0.0 0.0 ] "source-value" [ 5.29616 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.42438e-11 5.47618e-10 0.0 ] "source-value" [ -0.242438 5.47618 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.1809e-11 -3.4447e-13 5.456850000000001e-10 ] "source-value" [ 0.11809 -0.0034447 5.45685 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 6.311183113815539e-09 5.114304306249453e-09 -1.646472318270582e-09 ] [ -2.219221300592083e-10 1.679470747952578e-09 -3.569422002062247e-10 ] [ 7.128832322856437e-09 9.966046471364795e-10 -1.36206193542927e-09 ] [ -3.733910746577975e-09 1.827795132541056e-10 -1.418414813059682e-09 ] [ -8.394705341808711e-10 -1.118548873228161e-09 -2.666153756147092e-09 ] [ -4.822796761630983e-10 -1.747764808155475e-10 2.985310062710707e-09 ] [ -6.113138382153774e-09 -4.284179108080046e-09 5.121774134308609e-10 ] [ -2.049294127754711e-09 -2.395654752468862e-09 3.952557707188944e-09 ] ] "source-value" [ [ 3.9391307 3.1920977 -1.0276472 ] [ -0.1385129 1.0482432 -0.2227858 ] [ 4.4494672 0.6220317 -0.8501322 ] [ -2.3305238 0.114082 -0.8853049 ] [ -0.5239563 -0.6981433 -1.6640823 ] [ -0.3010153 -0.1090869 1.863284 ] [ -3.8155209 -2.6739743 0.319676 ] [ -1.2790688 -1.4952501 2.4669925 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.83909e-12 -8.32388e-12 -5.90634e-12 ] [ 1.37993e-10 1.35458e-10 1.33752e-10 ] [ -1.23201e-11 2.75975e-10 2.68859e-10 ] [ 1.45379e-10 4.06883e-10 4.12913e-10 ] [ 2.80695e-10 6.748740000000001e-12 2.75473e-10 ] [ 4.11558e-10 1.36445e-10 4.01895e-10 ] [ 2.83757e-10 2.84317e-10 -4.21665e-12 ] [ 3.94058e-10 4.224230000000001e-10 1.31424e-10 ] ] "source-value" [ [ 0.0183909 -0.0832388 -0.0590634 ] [ 1.37993 1.35458 1.33752 ] [ -0.123201 2.75975 2.68859 ] [ 1.45379 4.06883 4.12913 ] [ 2.80695 0.0674874 2.75473 ] [ 4.11558 1.36445 4.01895 ] [ 2.83757 2.84317 -0.0421665 ] [ 3.94058 4.22423 1.31424 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.277253519250255e-18 "source-value" -32.938026 } }