{ "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" [ [ -1.7719022 0.1031941 0.0146942 ] [ -0.23954 -0.327227 0.452009 ] [ -0.9865652 0.6761747 -0.5187697 ] [ 1.0321408 0.8736616 -1.5957151 ] [ -0.3949181 -0.6760879 1.7057649 ] [ 0.642857 -0.8271083 -0.2648405 ] [ -0.3801197 -0.3430639 -0.5801211 ] [ 2.0980474 0.5204566 0.7869784 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.838900279184086e-09 1.653351744244973e-10 2.354270370135936e-11 ] [ -3.83785387746432e-10 -5.242754490945216e-10 7.241982521911872e-10 ] [ -1.580651698334876e-09 1.083351295916454e-09 -8.311606849194298e-10 ] [ 1.653671859133809e-09 1.399760190010721e-09 -2.556617426677534e-09 ] [ -6.327285469507566e-10 -1.083212226985768e-09 2.73293664336125e-09 ] [ 1.029970455917626e-09 -1.325173581129633e-09 -4.243212573409823e-10 ] [ -6.090188964455098e-10 -5.496489600204691e-10 -9.294564636527788e-10 ] [ 3.361442493610226e-09 8.338633966610574e-10 1.260878393554591e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.226056240654238 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.759918457736216e-18 } }