{ "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" [ 5.59774 0 0 ] "si-unit" "m" "si-value" [ 5.597740000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.20689 5.51351 0 ] "si-unit" "m" "si-value" [ -2.0689e-11 5.513510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.513105 0.215809 5.94806 ] "si-unit" "m" "si-value" [ 5.131050000000001e-11 2.15809e-11 5.94806e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00246673 -0.00144352 -0.0330248 ] [ 1.48237 1.24989 1.2555 ] [ 0.11896 2.3805 2.33914 ] [ 1.62926 4.22989 4.16904 ] [ 2.92639 0.137476 2.28463 ] [ 4.54625 1.57381 3.68026 ] [ 3.00188 2.71108 0.0736878 ] [ 4.22934 4.27512 1.23802 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.46673e-13 -1.44352e-13 -3.30248e-12 ] [ 1.48237e-10 1.24989e-10 1.2555e-10 ] [ 1.1896e-11 2.3805e-10 2.33914e-10 ] [ 1.62926e-10 4.22989e-10 4.16904e-10 ] [ 2.92639e-10 1.37476e-11 2.28463e-10 ] [ 4.54625e-10 1.57381e-10 3.68026e-10 ] [ 3.00188e-10 2.71108e-10 7.36878e-12 ] [ 4.22934e-10 4.27512e-10 1.23802e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0915496 0.4754118 -6.784919 ] [ 0.6743779 0.1271987 -5.449679 ] [ 2.6840071 11.4962552 0.8691453 ] [ 0.1481446 -0.5482833 0.1325088 ] [ 2.3885151 -2.9585864 8.0521772 ] [ -5.0931979 -5.2929546 7.6422448 ] [ -2.4685098 0.1866579 -5.7067705 ] [ -0.4248865 -3.4856993 1.2452924 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.351031870363591e-09 7.616936712124455e-10 -1.087063859582172e-08 ] [ 1.0804725049642e-09 2.03794783336153e-10 -8.731348284664724e-09 ] [ 4.300253425681208e-09 1.841903130819043e-08 1.392524279738202e-09 ] [ 2.373538146177677e-10 -8.784466848350727e-10 2.12302501410263e-10 ] [ 3.826823051647774e-09 -4.740177960696838e-09 1.29010100563788e-08 ] [ -8.160202600487656e-09 -8.480248115075815e-09 1.224422594899037e-08 ] [ -3.954988689775684e-09 2.990589234676243e-10 -9.143254275371127e-09 ] [ -6.807432167935392e-10 -5.584705925598926e-09 1.995178369339922e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.850525 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.141710679040592e-18 } }