{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.48715e-10 0.0 0.0 ] "source-value" [ 5.48715 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 8.53536e-12 5.45185e-10 0.0 ] "source-value" [ 0.0853536 5.45185 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -9.25937e-12 3.73061e-12 5.50955e-10 ] "source-value" [ -0.0925937 0.0373061 5.50955 ] } "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" [ [ -1.359540750298779e-09 -6.411957299563604e-10 6.126428597440973e-10 ] [ 8.681275458734861e-10 -8.833057660906349e-10 -6.909469990384282e-10 ] [ -3.440328223017907e-10 -9.125453292025729e-11 2.390820985603908e-09 ] [ -1.646091000234831e-09 -2.089097642415894e-09 1.941793203464218e-09 ] [ 1.627502226644985e-09 2.753147460561994e-09 -2.235097268727591e-10 ] [ -1.022519693760257e-09 6.447967821292703e-10 -1.90705000344217e-10 ] [ 5.27480603424432e-10 -5.540243441542119e-10 -1.892071254214311e-09 ] [ 1.349074050870417e-09 8.609337728460941e-10 -1.948024068342509e-09 ] ] "source-value" [ [ -0.8485586 -0.4002029 0.3823816 ] [ 0.5418426 -0.5513161 -0.4312552 ] [ -0.2147284 -0.0569566 1.4922331 ] [ -1.0274092 -1.3039122 1.211972 ] [ 1.015807 1.7183795 -0.1395038 ] [ -0.6382066 0.4024505 -0.1190287 ] [ 0.3292275 -0.3457948 -1.180938 ] [ 0.8420258 0.5373526 -1.215861 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.08625e-11 -3.46204e-12 -9.3953e-12 ] [ 1.31877e-10 1.39109e-10 1.34024e-10 ] [ -1.98257e-12 2.75858e-10 2.57664e-10 ] [ 1.43337e-10 4.133e-10 3.94558e-10 ] [ 2.6449e-10 -4.467320000000001e-12 2.70542e-10 ] [ 4.12571e-10 1.36749e-10 4.0773e-10 ] [ 2.7517e-10 2.72879e-10 3.16261e-12 ] [ 4.07324e-10 4.11206e-10 1.36119e-10 ] ] "source-value" [ [ 0.108625 -0.0346204 -0.093953 ] [ 1.31877 1.39109 1.34024 ] [ -0.0198257 2.75858 2.57664 ] [ 1.43337 4.133 3.94558 ] [ 2.6449 -0.0446732 2.70542 ] [ 4.12571 1.36749 4.0773 ] [ 2.7517 2.72879 0.0316261 ] [ 4.07324 4.11206 1.36119 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -6.668527460353585e-18 "source-value" -41.621675 } }