{ "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" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5253251999999999 -1.1881183999999998 1.3407400999999999 ] [ 0.9597248999999999 -1.4533264999999997 -2.9655221999999997 ] [ -0.48742019999999997 0.5490751999999999 2.7258482999999996 ] [ -0.6892647999999999 0.7994790999999999 -0.37628189999999995 ] [ -1.3466776999999999 -2.7001528999999995 -2.1433480999999994 ] [ 2.6735682999999995 3.0320736999999998 1.9649239999999997 ] [ -0.10415499999999998 -1.2835006999999998 0.7717621999999998 ] [ -0.48045019999999994 2.2444704999999994 -1.3181223999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.416637537570841e-10 -1.903575523222302e-09 2.148102442789054e-09 ] [ 1.537648797179618e-09 -2.328485740689091e-09 -4.751290337303381e-09 ] [ -7.809332489456601e-10 8.79715448501084e-10 4.367290418107424e-09 ] [ -1.104323948100388e-09 1.280906722838225e-09 -6.028700630102035e-10 ] [ -2.157615526692716e-09 -4.32612184896532e-09 -3.4340222160561e-09 ] [ 4.283528624372e-09 4.857917594682553e-09 3.148155294448819e-09 ] [ -1.66874705939424e-10 -2.056394814320434e-09 1.236499353657174e-09 ] [ -7.697660778986842e-10 3.596038161175285e-09 -2.111864892632786e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.731676 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.885063253000047e-18 } }