{ "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" [ [ 1.9558292000000004 2.1273508000000003 -0.24048770000000005 ] [ -0.8349950000000003 -0.6210487000000001 0.31546140000000006 ] [ -0.021055900000000002 0.44244640000000013 -0.9587659000000002 ] [ 0.4566847000000001 -0.48694700000000013 -0.6042312000000001 ] [ 0.15337330000000002 0.48145320000000014 -0.2882581000000001 ] [ 0.36334740000000004 -0.021270000000000004 -0.9291859000000002 ] [ -0.4043317000000001 0.7292541000000001 0.3774797000000001 ] [ -1.6688521000000005 -2.6512386000000006 2.3279877000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.133583818517968e-09 3.408391716000177e-09 -3.853037705299642e-10 ] [ -1.337809467484896e-09 -9.950297075182331e-10 5.054248798448373e-10 ] [ -3.373527070990273e-11 7.088772780371253e-10 -1.536112309800271e-09 ] [ 7.31689549417062e-10 -7.801750989686979e-10 -9.680851021979291e-10 ] [ 2.457311155149447e-10 7.713730610493468e-10 -4.618403885762286e-10 ] [ 5.82146709508466e-10 -3.4078296724416e-11 -1.488719925357007e-09 ] [ -6.478107967883196e-10 1.168393869642545e-09 6.047891501665979e-10 ] [ -2.673795818192984e-09 -4.247752501082524e-09 3.729847466449965e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.46457 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.842268154152506e-18 } }