{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.2621472 0.2891226 -0.9359140999999999 ] [ -0.3947485 -0.6790915 0.42216039999999994 ] [ 0.3793479 0.2160065 1.3460602999999998 ] [ -2.3395598 -1.9792918 2.2621428999999997 ] [ 1.0288445 2.3258017 -0.7662105999999999 ] [ -1.0364919 0.6608321 -1.3672044999999997 ] [ -0.4717707 -0.527453 -2.1260261999999996 ] [ -0.4277687 -0.3059268 1.1649917999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.226535977448182e-09 4.632254702649101e-10 -1.499499690097073e-09 ] [ -6.324568177958688e-10 -1.088024524684003e-09 6.763755231075762e-10 ] [ 6.077823365295764e-10 3.460805642408352e-10 2.156626342847034e-09 ] [ -3.748388014523523e-09 -3.171175047701149e-09 3.624352467288712e-09 ] [ 1.648390604338666e-09 3.726345108356895e-09 -1.22760470992914e-09 ] [ -1.660643089828571e-09 1.058769740894168e-09 -2.190503085752553e-09 ] [ -7.558599859184505e-10 -8.450728651708223e-10 -3.406269472848264e-09 ] [ -6.85361010250009e-10 -4.901487666361574e-10 1.866522625383709e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.826581 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.740051048139748e-18 } }