{ "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" [ 5.42386 0 0 ] "si-unit" "m" "si-value" [ 5.423860000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00583756 5.42008 0 ] "si-unit" "m" "si-value" [ -5.83756e-13 5.42008e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.133978 0.025245 5.31918 ] "si-unit" "m" "si-value" [ 1.33978e-11 2.5245e-12 5.31918e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0601366 -0.000139309 -0.0552929 ] [ 1.41186 1.40158 1.29827 ] [ 0.0312084 2.71899 2.71348 ] [ 1.40738 4.08238 4.03102 ] [ 2.73873 -0.00499376 2.66143 ] [ 4.093 1.3473 4.02214 ] [ 2.75009 2.74892 -0.00923085 ] [ 4.15824 4.1992 1.24093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.01366e-12 -1.39309e-14 -5.52929e-12 ] [ 1.41186e-10 1.40158e-10 1.29827e-10 ] [ 3.12084e-12 2.71899e-10 2.71348e-10 ] [ 1.40738e-10 4.08238e-10 4.03102e-10 ] [ 2.73873e-10 -4.993760000000001e-13 2.66143e-10 ] [ 4.093e-10 1.3473e-10 4.02214e-10 ] [ 2.75009e-10 2.74892e-10 -9.23085e-13 ] [ 4.158240000000001e-10 4.1992e-10 1.24093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9559121000000004 2.1274722000000006 -0.24054520000000004 ] [ -0.8350193000000002 -0.6210760000000001 0.31542650000000005 ] [ -0.021114100000000004 0.4424539000000001 -0.9587724000000002 ] [ 0.4566938000000001 -0.4870004000000001 -0.6041984000000001 ] [ 0.15334630000000002 0.4814139000000001 -0.2882639000000001 ] [ 0.36329200000000006 -0.021327800000000004 -0.9292006000000003 ] [ -0.4042782000000001 0.7293409000000001 0.3775075000000001 ] [ -1.6688326000000004 -2.6512767000000004 2.3280464000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.133716664777872e-09 3.408586248324576e-09 -3.853958988608568e-10 ] [ -1.337848411399037e-09 -9.95073455138184e-10 5.05368968044401e-10 ] [ -3.382851766793941e-11 7.088893002021727e-10 -1.536122736604102e-09 ] [ 7.317041352526693e-10 -7.802606616286537e-10 -9.680325587801857e-10 ] [ 2.456878587703542e-10 7.713101018628127e-10 -4.618496850057127e-10 ] [ 5.82057953719128e-10 -3.41709028146252e-11 -1.488743489618781e-09 ] [ -6.477250856755789e-10 1.168532948200531e-09 6.048336956597552e-10 ] [ -2.673764597777469e-09 -4.247813579008628e-09 3.729941544947817e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.458646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.841319072847756e-18 } }