{ "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" [ 5.37157 0 0 ] "si-unit" "m" "si-value" [ 5.37157e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00742946 5.44743 0 ] "si-unit" "m" "si-value" [ -7.42946e-13 5.447429999999999e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0324182 0.1292 5.41398 ] "si-unit" "m" "si-value" [ 3.24182e-12 1.292e-11 5.41398e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0294164 -0.0853048 -0.0527531 ] [ 1.50657 1.46533 1.29324 ] [ 0.0376731 2.77305 2.66982 ] [ 1.30492 4.09759 4.08062 ] [ 2.57907 0.017247 2.67471 ] [ 4.14556 1.36588 4.04305 ] [ 2.78643 2.5664 0.0569683 ] [ 4.11497 4.06206 1.21769 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.94164e-12 -8.530480000000001e-12 -5.27531e-12 ] [ 1.50657e-10 1.46533e-10 1.29324e-10 ] [ 3.76731e-12 2.77305e-10 2.66982e-10 ] [ 1.30492e-10 4.09759e-10 4.08062e-10 ] [ 2.57907e-10 1.7247e-12 2.67471e-10 ] [ 4.14556e-10 1.36588e-10 4.04305e-10 ] [ 2.78643e-10 2.5664e-10 5.69683e-12 ] [ 4.114969999999999e-10 4.06206e-10 1.21769e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8318586 2.04198 1.5078356 ] [ -2.8117507 -0.9843484 0.3532212 ] [ -0.3253126 -0.5057232 -0.3552259 ] [ 1.7722739 -1.3695751 0.6404565 ] [ 1.6635974 -1.3245125 0.4341183 ] [ -1.2320108 -0.577987 -1.9668418 ] [ 0.927824 1.3640726 -2.5476553 ] [ -1.8264797 1.3560936 1.9340914 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.934961021531419e-09 3.271612616141184e-09 2.41581894632994e-09 ] [ -4.504921235058035e-09 -1.577099993201887e-09 5.65922748610921e-10 ] [ -5.212082421716621e-10 -8.102578876361626e-10 -5.691346320826387e-10 ] [ 2.839495808234037e-09 -2.194301205649822e-09 1.026124430939395e-09 ] [ 2.665376860703666e-09 -2.12210296145736e-09 6.955341909214407e-10 ] [ -1.973898900333105e-09 -9.260372585263297e-10 -3.15122794877219e-09 ] [ 1.486537921017139e-09 2.18548522879387e-09 -4.081793759517211e-09 ] [ -2.926343073705798e-09 2.172701461536507e-09 3.098756023570341e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -218.92325 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.507537128995536e-17 } }