{ "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" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3779062999999999 -1.0252179999999997 1.5401979999999997 ] [ 0.8326749999999999 -1.5475760999999997 -3.1177204999999995 ] [ -0.4251017999999999 0.5592654999999999 2.9049221999999997 ] [ -0.8137259999999998 0.6409797999999999 -0.47651759999999993 ] [ -0.9960217999999998 -3.0390472999999996 -2.4553539999999994 ] [ 2.6336012999999996 3.0752470999999995 1.9116056999999997 ] [ -0.09229839999999999 -1.3317195999999998 0.7328933999999999 ] [ -0.7612218999999999 2.6680685999999993 -1.0400270999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.054726437013939e-10 -1.642580324356211e-09 2.467669247333531e-09 ] [ 1.33409242871595e-09 -2.479490266756847e-09 -4.995138936442796e-09 ] [ -6.81088171031341e-10 8.960421163023267e-10 4.654198472427874e-09 ] [ -1.303732783678284e-09 1.026962858425993e-09 -7.634653644097582e-10 ] [ -1.595802854914621e-09 -4.869090573680788e-09 -3.933910806998435e-09 ] [ 4.219494466132023e-09 4.927089047396261e-09 3.062729985961213e-09 ] [ -1.478783398355856e-10 -2.133650026159826e-09 1.174224680692815e-09 ] [ -1.219611941469084e-09 4.274717168829091e-09 -1.666307118346781e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.762373 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.729763839699247e-18 } }