{ "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" [ 5.31945 0 0 ] "si-unit" "m" "si-value" [ 5.31945e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00383334 5.41695 0 ] "si-unit" "m" "si-value" [ -3.83334e-13 5.416950000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0189848 -0.118491 5.47074 ] "si-unit" "m" "si-value" [ 1.89848e-12 -1.18491e-11 5.47074e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0147515 -0.0960157 0.0381768 ] [ 1.54242 1.27348 1.38773 ] [ -0.0738039 2.51333 2.6891 ] [ 1.45374 4.04036 4.07661 ] [ 2.81495 -0.0309523 2.80877 ] [ 4.27456 1.30079 3.98727 ] [ 2.73206 2.74248 -0.103972 ] [ 3.9224 4.04214 1.39211 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.47515e-12 -9.60157e-12 3.81768e-12 ] [ 1.54242e-10 1.27348e-10 1.38773e-10 ] [ -7.38039e-12 2.51333e-10 2.6891e-10 ] [ 1.45374e-10 4.04036e-10 4.07661e-10 ] [ 2.81495e-10 -3.09523e-12 2.80877e-10 ] [ 4.27456e-10 1.30079e-10 3.98727e-10 ] [ 2.73206e-10 2.74248e-10 -1.03972e-11 ] [ 3.9224e-10 4.04214e-10 1.39211e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9493096 1.5431717 -0.2280198 ] [ -2.0871901 0.2558894 -0.8429646 ] [ 5.4622525 5.4371139 -4.0994914 ] [ -1.8996663 -1.6325062 -0.1293627 ] [ -0.4885391 0.5999078 -0.3629138 ] [ -4.5948686 -3.8661326 5.7251622 ] [ 0.4173675 -0.9312446 0.3145321 ] [ 1.2413344 -1.4061994 -0.3769419 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.123138293551886e-09 2.472433639990058e-09 -3.653279956493531e-10 ] [ -3.344047208936123e-09 4.099800175682795e-10 -1.350578185409156e-09 ] [ 8.751493324508085e-09 8.711216846976612e-09 -6.568109332363947e-09 ] [ -3.043600958257234e-09 -2.61556328850013e-09 -2.072618952511518e-10 ] [ -7.827259308153894e-10 9.61158259714345e-10 -5.814520105161491e-10 ] [ -7.361791107220291e-09 -6.194227315665668e-09 9.172721102700034e-09 ] [ 6.68696456290995e-10 -1.492018338658676e-09 5.039359812629514e-10 ] [ 1.988836970660409e-09 -2.25297982142482e-09 -6.039275045555645e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.034213 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.613099745917904e-18 } }