{ "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" [ [ 1.8729027000000005 2.0392632000000006 -0.22054230000000005 ] [ -0.8122775000000002 -0.6136555000000001 0.32301920000000006 ] [ -0.014599400000000004 0.4369265000000001 -0.9291677000000003 ] [ 0.4514590000000001 -0.4982568000000001 -0.5752149000000001 ] [ 0.15185410000000002 0.4743186000000001 -0.27996400000000005 ] [ 0.33699130000000005 -0.05892190000000001 -0.9018579000000002 ] [ -0.3884650000000001 0.7597741000000002 0.35003960000000006 ] [ -1.5978652000000004 -2.5394483000000005 2.2336880000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.000720918973197e-09 3.267259822697796e-09 -3.533477169574599e-10 ] [ -1.301412020101872e-09 -9.831844953253347e-10 5.175338103095195e-10 ] [ -2.339081735770753e-11 7.000334233079714e-10 -1.488690765742509e-09 ] [ 7.233170550497473e-10 -7.982953961146216e-10 -9.215958647158101e-10 ] [ 2.432970887926253e-10 7.599421717305871e-10 -4.485517754656513e-10 ] [ 5.399195822729992e-10 -9.440329063311554e-11 -1.444935642663785e-09 ] [ -6.223895409990722e-10 1.217292300109362e-09 5.608252634741838e-10 ] [ -2.560062266629917e-09 -4.068644695990306e-09 3.578762691761511e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.487549 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.845949795809442e-18 } }