{ "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" [ 5.45804 0 0 ] "si-unit" "m" "si-value" [ 5.45804e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0357167 5.39587 0 ] "si-unit" "m" "si-value" [ -3.57167e-12 5.395870000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.019829 -0.0610013 5.23355 ] "si-unit" "m" "si-value" [ 1.9829e-12 -6.10013e-12 5.23355e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0872055 -0.452445 -0.0713075 ] [ 1.44372 1.30265 0.852604 ] [ 0.0844836 2.96191 2.59679 ] [ 1.14061 3.90928 3.87091 ] [ 2.7873 -0.319613 3.1468 ] [ 4.07117 1.23968 4.05459 ] [ 2.72619 2.52806 0.379157 ] [ 3.92833 3.98172 1.55502 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.720550000000001e-12 -4.52445e-11 -7.13075e-12 ] [ 1.44372e-10 1.30265e-10 8.526040000000001e-11 ] [ 8.44836e-12 2.96191e-10 2.59679e-10 ] [ 1.14061e-10 3.90928e-10 3.87091e-10 ] [ 2.7873e-10 -3.19613e-11 3.1468e-10 ] [ 4.071170000000001e-10 1.23968e-10 4.05459e-10 ] [ 2.72619e-10 2.52806e-10 3.79157e-11 ] [ 3.92833e-10 3.98172e-10 1.55502e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9676746 5.4989054 5.4410576 ] [ -7.66133 -6.8484418 3.9521734 ] [ -3.8677684 -7.2890299 -5.0481305 ] [ 7.8256759 -2.0799688 2.7827038 ] [ 1.1165178 1.8898261 -2.0251164 ] [ 1.5225198 1.0149983 0.5051877 ] [ 5.8439912 6.518391 -4.6027345 ] [ 0.1880683 1.2953197 -1.005141 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.959092169435296e-09 8.810217744456422e-09 8.717535350968116e-09 ] [ -1.227480391136322e-08 -1.09724134312689e-08 6.332079874996335e-09 ] [ -6.196848156203565e-09 -1.167831339030736e-08 -8.087996732482736e-09 ] [ 1.253811507223692e-08 -3.332477410809019e-09 4.458383007703009e-09 ] [ 1.788858730605085e-09 3.027835219743347e-09 -3.244594177210197e-09 ] [ 2.439345648362353e-09 1.626206559809722e-09 8.093999287242017e-10 ] [ 9.36310614994162e-09 1.044361375147589e-08 -7.374393668405673e-09 ] [ 3.013186358561022e-10 2.075330956899889e-09 -1.610413424075394e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.153405074190157 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.908496143740451e-18 } }