{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.5048e-10 0.0 0.0 ] "source-value" [ 5.5048 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.92448e-12 5.36034e-10 0.0 ] "source-value" [ 0.0192448 5.36034 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.90348e-11 1.57222e-12 5.58687e-10 ] "source-value" [ 0.190348 0.0157222 5.58687 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 1.73453259166195e-09 3.625105490300489e-09 -2.99503735762857e-09 ] [ -1.065004450996349e-09 1.465292898807669e-09 -2.786372438018171e-09 ] [ -3.023818057356311e-09 -3.489720764754577e-09 -2.423018326975506e-09 ] [ 9.141340475397581e-10 -8.369741827880026e-10 4.789373274491487e-09 ] [ 2.973006147351274e-09 5.48507088742825e-10 7.520759651754452e-10 ] [ 2.278957013939653e-09 3.233575340986771e-10 -4.133146243914106e-10 ] [ -1.590636463035702e-09 8.789492876410177e-10 4.080761477120429e-10 ] [ -2.22117066888661e-09 -2.514517672483421e-09 2.66821719941702e-09 ] ] "source-value" [ [ 1.0826101 2.2626129 -1.8693553 ] [ -0.6647235 0.9145639 -1.7391169 ] [ -1.8873188 -2.1781124 -1.5123291 ] [ 0.5705576 -0.5223982 2.9892917 ] [ 1.8556045 0.3423512 0.4694089 ] [ 1.4224131 0.2018239 -0.2579707 ] [ -0.9927972 0.548597 0.2547011 ] [ -1.3863457 -1.5694385 1.6653702 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.13409e-12 -6.87251e-12 -7.641280000000001e-12 ] [ 1.39555e-10 1.34846e-10 1.39039e-10 ] [ 1.52538e-11 2.8802e-10 2.74744e-10 ] [ 1.52254e-10 4.15487e-10 3.864390000000001e-10 ] [ 2.76536e-10 1.71046e-12 2.52424e-10 ] [ 4.13989e-10 1.28016e-10 4.0502e-10 ] [ 2.78466e-10 2.66896e-10 -1.7742e-11 ] [ 4.2307e-10 4.058290000000001e-10 1.13615e-10 ] ] "source-value" [ [ -0.0113409 -0.0687251 -0.0764128 ] [ 1.39555 1.34846 1.39039 ] [ 0.152538 2.8802 2.74744 ] [ 1.52254 4.15487 3.86439 ] [ 2.76536 0.0171046 2.52424 ] [ 4.13989 1.28016 4.0502 ] [ 2.78466 2.66896 -0.17742 ] [ 4.2307 4.05829 1.13615 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.714757806262503e-18 "source-value" -35.668713 } }