{ "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" [ [ 1.8869039000000005 2.2273632000000005 -0.08378340000000001 ] [ -0.7914164000000002 -0.4055050000000001 0.12799970000000002 ] [ -0.5701609000000001 0.22877110000000006 -0.9947118000000003 ] [ 0.4397133000000001 -0.9910560000000003 -0.36861050000000006 ] [ -0.4431998000000001 -0.16205240000000004 -0.4484652000000001 ] [ -0.4263907000000001 -0.28512070000000006 -1.0838811000000002 ] [ 0.16681700000000002 1.1661420000000002 0.7847773000000002 ] [ -0.26226630000000006 -1.7785423000000005 2.0666751000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.023153314276342e-09 3.568629245070275e-09 -1.342358046911347e-10 ] [ -1.267988853397702e-09 -6.496906306175042e-10 2.050781268094138e-10 ] [ -9.134984640742869e-10 3.66531707934699e-10 -1.593703990393886e-09 ] [ 7.044983691148167e-10 -1.587846753103565e-09 -5.905791252813984e-10 ] [ -7.10084357903236e-10 -2.5963656662453e-10 -7.185204586823963e-10 ] [ -6.831532108665469e-10 -4.568137196461307e-10 -1.736568958146987e-09 ] [ 2.672702973519936e-10 1.868365448932954e-09 1.257351842594548e-09 ] [ -4.201969342837191e-10 -2.849538892163861e-09 3.311178528009502e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -220.47061 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.532328569155147e-17 } }