{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.47225e-10 0.0 0.0 ] "source-value" [ 5.47225 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] "source-value" [ -0.0720088 5.55574 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] "source-value" [ -0.0610026 -0.0268755 5.37267 ] } "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" [ [ 1.436191443320444e-09 5.687614851476544e-10 -2.530782969537782e-09 ] [ 2.14027613043177e-09 -9.731306768121525e-10 -1.666221227951549e-09 ] [ -7.359672007769357e-10 -5.326484241148224e-11 3.040349796382712e-09 ] [ -4.11617118261673e-10 1.675331524652742e-09 -9.962109923407488e-11 ] [ -4.605166061650587e-09 -7.689550881367676e-09 -6.231627834798025e-09 ] [ 5.337508498040625e-09 7.0066758083625e-09 5.849241948329861e-09 ] [ 1.066837501268206e-09 -8.391500988567109e-10 2.75067610312441e-10 ] [ -4.228063352589512e-09 3.043278415027872e-10 1.363593776496417e-09 ] ] "source-value" [ [ 0.8964002000000002 0.35499300000000006 -1.5795905000000003 ] [ 1.3358553000000002 -0.6073804000000002 -1.0399735000000003 ] [ -0.4593546000000001 -0.033245300000000005 1.8976371000000005 ] [ -0.25691120000000006 1.0456597000000003 -0.062178600000000014 ] [ -2.8743186000000005 -4.799440200000001 -3.8894762000000007 ] [ 3.331410800000001 4.373223100000001 3.650809700000001 ] [ 0.6658676000000001 -0.5237563000000001 0.17168370000000002 ] [ -2.6389496000000006 0.18994650000000005 0.8510883000000002 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.05094e-12 -7.580470000000001e-12 1.42316e-11 ] [ 1.30951e-10 1.38319e-10 1.48801e-10 ] [ -6.02099e-12 2.69484e-10 2.70363e-10 ] [ 1.30902e-10 4.05591e-10 4.11478e-10 ] [ 2.76224e-10 8.53385e-12 2.86654e-10 ] [ 4.01949e-10 1.17816e-10 4.04456e-10 ] [ 2.72232e-10 2.71295e-10 6.983420000000001e-12 ] [ 4.15368e-10 4.127030000000001e-10 1.42088e-10 ] ] "source-value" [ [ 0.0205094 -0.0758047 0.142316 ] [ 1.30951 1.38319 1.48801 ] [ -0.0602099 2.69484 2.70363 ] [ 1.30902 4.05591 4.11478 ] [ 2.76224 0.0853385 2.86654 ] [ 4.01949 1.17816 4.04456 ] [ 2.72232 2.71295 0.0698342 ] [ 4.15368 4.12703 1.42088 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.705145868061338e-18 "source-value" -35.60872 } }