{ "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" [ [ 2.0189536000000006 2.3452381000000004 -0.5245685000000001 ] [ -0.7833628000000002 -0.6290126000000001 0.30610570000000004 ] [ -0.08818430000000001 0.4160086000000001 -0.8578343000000003 ] [ 0.4176530000000001 -0.7597522000000002 -0.4088505000000001 ] [ 0.047628100000000013 0.3831817000000001 -0.34262020000000004 ] [ 0.04691980000000001 -0.2734864000000001 -0.8982973000000002 ] [ -0.17022500000000002 1.0203814000000002 0.4048696000000001 ] [ -1.4893824000000002 -2.5025585000000006 2.3211955000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.234720283050183e-09 3.757485684986556e-09 -8.404513936324291e-10 ] [ -1.255085574104815e-09 -1.007789290211588e-09 4.904354000742138e-10 ] [ -1.412868249456462e-10 6.665192584630525e-10 -1.374402071303747e-09 ] [ 6.691538777200021e-10 -1.217257222470095e-09 -6.550507178992171e-10 ] [ 7.630862894181541e-11 6.139247663163979e-10 -5.489380787764067e-10 ] [ 7.517380723195321e-11 -4.381735197967777e-10 -1.439230944445288e-09 ] [ -2.7273051752265e-10 1.634831236848208e-09 6.486726129369265e-10 ] [ -2.386253680370842e-09 -4.00954075391809e-09 3.718965193045947e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.52733 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.852323462840722e-18 } }