{ "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" [ 5.54387 0 0 ] "si-unit" "m" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0557634 5.4256 0 ] "si-unit" "m" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.136783 0.0146252 5.57946 ] "si-unit" "m" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00414448 -0.00753772 -0.01957 ] [ 1.42138 1.28295 1.34172 ] [ -0.029535 2.68233 2.78427 ] [ 1.30944 3.95933 4.27313 ] [ 2.73162 -0.0222546 2.83084 ] [ 4.1911 1.38332 4.19541 ] [ 2.73336 2.72737 0.0657353 ] [ 3.99828 4.07749 1.28506 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.14448e-13 -7.537720000000001e-13 -1.957e-12 ] [ 1.42138e-10 1.28295e-10 1.34172e-10 ] [ -2.9535e-12 2.68233e-10 2.78427e-10 ] [ 1.30944e-10 3.95933e-10 4.27313e-10 ] [ 2.73162e-10 -2.22546e-12 2.83084e-10 ] [ 4.1911e-10 1.38332e-10 4.19541e-10 ] [ 2.73336e-10 2.72737e-10 6.57353e-12 ] [ 3.99828e-10 4.07749e-10 1.28506e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.13656190000000004 -1.2713018000000003 0.5552979000000001 ] [ -0.9327173000000002 0.6302398000000001 1.2717175000000003 ] [ -0.019162800000000004 0.3086167000000001 -1.3833008000000002 ] [ -0.34247700000000003 2.0259940000000003 -1.6638362000000004 ] [ -0.4410770000000001 -0.35708180000000006 0.6327921000000001 ] [ -2.2288331000000006 0.43448340000000013 0.023644900000000007 ] [ 1.0314922000000002 -2.4470085000000004 -1.4211784000000003 ] [ 2.7962132000000004 0.6760581000000001 1.9848629000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.187962834720276e-10 -2.036850021940958e-09 8.896853129593365e-10 ] [ -1.4943778518757e-09 1.009755473057668e-09 2.037516046762225e-09 ] [ -3.070219014906624e-11 4.944584615284475e-10 -2.216292201293937e-09 ] [ -5.487086425617216e-10 3.246000220681076e-09 -2.665759460480714e-09 ] [ -7.066832573726017e-10 -5.721081116731816e-10 1.013844708446936e-09 ] [ -3.57098428448519e-09 6.961191456056949e-10 3.788330598115394e-11 ] [ 1.652632687377558e-09 -3.920539809598877e-09 -2.276978806465951e-09 ] [ 4.480027415812356e-09 1.083164482122469e-09 3.180100933873289e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.668475 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.394284350298928e-18 } }