{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1980252 -1.4084344 -1.3304151999999998 ] [ 0.2514541 -1.2090843 -0.9573296999999998 ] [ 0.2161736 -1.3812162 2.5505520999999995 ] [ -2.7001963 -0.4616678 2.5408531999999995 ] [ 1.047622 2.2142776 0.06440949999999998 ] [ -0.6414434 2.4823495 -2.0699292999999996 ] [ -2.138828 -0.5275896 -2.0967070999999997 ] [ 0.7671928 0.2913652 1.2985664999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.123801208169244e-09 -2.256560667610475e-09 -2.131560129396956e-09 ] [ 4.028738802243053e-10 -1.937166598036334e-09 -1.533811263737478e-09 ] [ 3.463482879541709e-10 -2.212952303910217e-09 4.086434944752343e-09 ] [ -4.326191383430663e-09 -7.396733557361703e-10 4.070895593924866e-09 ] [ 1.678475475835738e-09 3.547663802681134e-09 1.031953950574176e-10 ] [ -1.027705619046463e-09 3.97716233355457e-09 -3.316392331168909e-09 ] [ -3.426780217512423e-09 -8.452917224972237e-10 -3.359295096285367e-09 ] [ 1.22917836780609e-09 4.668185115547162e-10 2.080532886854083e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -217.72433 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.488328313053441e-17 } }