{ "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" [ 5.51626 0 0 ] "si-unit" "m" "si-value" [ 5.516260000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0156708 5.55287 0 ] "si-unit" "m" "si-value" [ 1.56708e-12 5.55287e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0707378 -0.0779479 5.31818 ] "si-unit" "m" "si-value" [ 7.073780000000001e-12 -7.79479e-12 5.31818e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0442334 -0.0178769 0.0866315 ] [ 1.37385 1.41168 1.32363 ] [ 0.027051 2.64271 2.7677 ] [ 1.3087 3.96384 4.18589 ] [ 2.72942 0.00808237 2.56914 ] [ 4.1019 1.31789 4.05807 ] [ 2.73169 2.7615 0.0742825 ] [ 4.00667 4.08894 1.33622 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.42334e-12 -1.78769e-12 8.66315e-12 ] [ 1.37385e-10 1.41168e-10 1.32363e-10 ] [ 2.7051e-12 2.64271e-10 2.7677e-10 ] [ 1.3087e-10 3.96384e-10 4.18589e-10 ] [ 2.72942e-10 8.082370000000001e-13 2.56914e-10 ] [ 4.1019e-10 1.31789e-10 4.05807e-10 ] [ 2.73169e-10 2.7615e-10 7.42825e-12 ] [ 4.00667e-10 4.08894e-10 1.33622e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7304596 0.1659006 0.0622689 ] [ -0.0067346 -0.6411955 0.7930374 ] [ -1.5275275 0.9686351 -0.679034 ] [ 1.8165668 1.2109264 -2.399542 ] [ -0.7146016 -0.8533914 2.4114782 ] [ 1.0199583 -1.1048829 -0.4519035 ] [ -0.8811702 -0.4956436 -0.8170946 ] [ 3.0239685 0.7496514 1.0807897 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.374678571200986e-09 2.658020648865804e-10 9.97657766048826e-11 ] [ -1.07900187593364e-11 -1.027308447925947e-09 1.270585992168111e-09 ] [ -2.447368868292435e-09 1.551924524092253e-09 -1.087932408491556e-09 ] [ 2.910460881060151e-09 1.940117983573737e-09 -3.844490124701628e-09 ] [ -1.144917986139014e-09 -1.367283760736548e-09 3.863614025440378e-09 ] [ 1.634153355914362e-09 -1.770217565686158e-09 -7.240292285228189e-10 ] [ -1.411790305017106e-09 -7.941085947116424e-10 -1.309129875887576e-09 ] [ 4.844931672652028e-09 1.201073956725388e-09 1.731616003607869e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.767072 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.730516702499564e-18 } }