{ "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" [ 5.42981 0 0 ] "si-unit" "m" "si-value" [ 5.42981e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0370196 5.47054 0 ] "si-unit" "m" "si-value" [ 3.70196e-12 5.47054e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0339139 -0.0143321 5.52419 ] "si-unit" "m" "si-value" [ -3.39139e-12 -1.43321e-12 5.52419e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0865271 0.0202603 -0.0485063 ] [ 1.27669 1.31148 1.22292 ] [ -0.0137625 2.6467 2.79128 ] [ 1.29807 4.01993 4.311 ] [ 2.70854 -0.0697941 2.82717 ] [ 4.06866 1.27154 4.01384 ] [ 2.71531 2.7055 0.0603487 ] [ 4.06455 4.01651 1.33765 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.65271e-12 2.02603e-12 -4.850630000000001e-12 ] [ 1.27669e-10 1.31148e-10 1.22292e-10 ] [ -1.37625e-12 2.6467e-10 2.79128e-10 ] [ 1.29807e-10 4.019929999999999e-10 4.311e-10 ] [ 2.70854e-10 -6.97941e-12 2.82717e-10 ] [ 4.06866e-10 1.27154e-10 4.01384e-10 ] [ 2.71531e-10 2.7055e-10 6.03487e-12 ] [ 4.06455e-10 4.016510000000001e-10 1.33765e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7855873 -0.7471056 0.5550756 ] [ 1.7472508 0.3444501 3.806344 ] [ 1.7642239 1.6133694 -0.5963907 ] [ 0.7477684 -0.9727502 -3.4169252 ] [ -2.4775107 -1.2622684 -1.3113125 ] [ -1.3645629 0.8269919 1.1275846 ] [ 2.2304465 -1.6205155 -0.7537545 ] [ 1.1379713 1.8178282 0.5893786 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.065179518027148e-09 -1.19699513545055e-09 8.893291564235303e-10 ] [ 2.799404405497807e-09 5.518699017989633e-10 6.098435417766096e-09 ] [ 2.826598309724352e-09 2.5849027546906e-09 -9.555232442749037e-10 ] [ 1.198057058123565e-09 -1.558517641158827e-09 -5.474517715565777e-09 ] [ -3.969409754024983e-09 -2.022376936316565e-09 -2.100954247372125e-09 ] [ -2.186270794003278e-09 1.324987098687264e-09 1.806589698978236e-09 ] [ 3.573569265687081e-09 -2.596352069134827e-09 -1.207647847672353e-09 ] [ 1.823231027022604e-09 2.912481866666278e-09 9.442886214996322e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -325.25475 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.211155605475115e-17 } }