{ "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" [ 5.43593 0 0 ] "si-unit" "m" "si-value" [ 5.43593e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00214695 5.43123 0 ] "si-unit" "m" "si-value" [ 2.14695e-13 5.43123e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0452237 0.0446124 5.47348 ] "si-unit" "m" "si-value" [ -4.52237e-12 4.461240000000001e-12 5.473480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0488145 -0.0723712 0.108622 ] [ 1.36095 1.35641 1.2952 ] [ -0.00863748 2.68477 2.74572 ] [ 1.30162 4.04466 3.93872 ] [ 2.7765 -0.0432881 2.8136 ] [ 4.0674 1.36091 4.19847 ] [ 2.70508 2.80909 0.166723 ] [ 4.1715 4.08924 1.48814 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.88145e-12 -7.23712e-12 1.08622e-11 ] [ 1.36095e-10 1.35641e-10 1.2952e-10 ] [ -8.63748e-13 2.68477e-10 2.74572e-10 ] [ 1.30162e-10 4.044660000000001e-10 3.93872e-10 ] [ 2.7765e-10 -4.328810000000001e-12 2.8136e-10 ] [ 4.0674e-10 1.36091e-10 4.19847e-10 ] [ 2.70508e-10 2.80909e-10 1.66723e-11 ] [ 4.1715e-10 4.089240000000001e-10 1.48814e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2134744 0.5760592 -2.8814124 ] [ 0.1439801 -0.8280118 3.1918948 ] [ 0.2446578 -1.3800512 -0.5289455 ] [ 0.6154573 0.9513414 4.7440937 ] [ -0.8100331 1.6077633 -1.6873896 ] [ -0.937168 0.7653666 0.5980917 ] [ 0.7305506 -1.0678993 -3.4214065 ] [ -2.2009191 -0.6245681 -0.0149263 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.546376934419307e-09 9.229485824367514e-10 -4.616531582163218e-09 ] [ 2.306815500804461e-10 -1.326621147706525e-09 5.113979224613092e-09 ] [ 3.919850072563623e-10 -2.211085768146985e-09 -8.474641137773664e-10 ] [ 9.860712971606919e-10 1.524216949479141e-09 7.600876013024569e-09 ] [ -1.297816094894148e-09 2.575920771040257e-09 -2.703496167301064e-09 ] [ -1.501508659361894e-09 1.226252472861185e-09 9.582485388345273e-10 ] [ 1.170471091631412e-09 -1.710963291828686e-09 -5.481697504553155e-09 ] [ -3.526261126292177e-09 -1.000668407917476e-09 -2.391456889504704e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -35.636769 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.70963981326502e-18 } }