{ "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" [ 5.5612 0 0 ] "si-unit" "m" "si-value" [ 5.5612e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0917257 5.43287 0 ] "si-unit" "m" "si-value" [ -9.17257e-12 5.432870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0143429 0.0662566 5.45634 ] "si-unit" "m" "si-value" [ -1.43429e-12 6.62566e-12 5.45634e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00266051 0.00288647 -0.0538151 ] [ 1.22385 1.29926 1.47737 ] [ 0.0401458 2.69595 2.81688 ] [ 1.24418 4.12341 4.00905 ] [ 2.75119 0.03974 2.60779 ] [ 4.10264 1.45712 4.11323 ] [ 2.59294 2.8546 -0.123929 ] [ 4.00842 4.13916 1.33335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.66051e-13 2.88647e-13 -5.38151e-12 ] [ 1.22385e-10 1.29926e-10 1.47737e-10 ] [ 4.01458e-12 2.69595e-10 2.81688e-10 ] [ 1.24418e-10 4.12341e-10 4.00905e-10 ] [ 2.75119e-10 3.974e-12 2.60779e-10 ] [ 4.10264e-10 1.45712e-10 4.11323e-10 ] [ 2.59294e-10 2.8546e-10 -1.23929e-11 ] [ 4.00842e-10 4.139160000000001e-10 1.33335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.18334739999999997 -0.07859759999999999 -0.11028779999999999 ] [ 0.38599269999999997 0.6291253999999998 -1.2570196999999999 ] [ -1.5624137999999999 0.33279869999999995 -1.2071903999999998 ] [ -0.033267599999999994 1.3891109999999998 0.08521369999999999 ] [ 1.1319667999999998 0.47158869999999997 0.4234358999999999 ] [ -1.1526132999999998 -0.050420999999999994 0.6379966999999999 ] [ 0.5774574999999998 -1.2762066999999997 1.2457833999999999 ] [ 0.8362250999999999 -1.4173984999999998 0.18206829999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.937549177644659e-10 -1.259272371709901e-10 -1.767005347194662e-10 ] [ 6.184284797394681e-10 1.007970007431448e-09 -2.013967575225029e-09 ] [ -2.503262862375287e-09 5.332022965726329e-10 -1.9341322357342e-09 ] [ -5.330057095012607e-11 2.225601167896109e-09 1.365273979118649e-10 ] [ 1.813610742481789e-09 7.555683897734649e-10 6.784190993874066e-10 ] [ -1.846690082083136e-09 -8.07833473973568e-11 1.022183396887551e-09 ] [ 9.251889060056158e-10 -2.044708538048319e-09 1.995965038060735e-09 ] [ 1.339780304946142e-09 -2.270922739056989e-09 2.917055736488006e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 146.98762 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.355001283110345e-17 } }