{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.516260000000001e-10 0.0 0.0 ] "source-value" [ 5.51626 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.56708e-12 5.55287e-10 0.0 ] "source-value" [ 0.0156708 5.55287 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 7.073780000000001e-12 -7.79479e-12 5.31818e-10 ] "source-value" [ 0.0707378 -0.0779479 5.31818 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -3.581899112714388e-09 4.467424374077818e-10 1.849844287196506e-10 ] [ -3.104776362440659e-10 -8.02888516051131e-10 9.981507475755513e-10 ] [ -1.820149866141923e-09 1.414039749361263e-09 -1.1511592557326e-09 ] [ 2.441254942144099e-09 1.545000705039483e-09 -3.288672913234786e-09 ] [ -8.812147653828288e-10 -1.093902430052732e-09 3.367197672249802e-09 ] [ 1.058478945837492e-09 -1.613652371064142e-09 -3.9004605310987e-10 ] [ -9.73644975507429e-10 -7.20895365087408e-10 -1.142944735980096e-09 ] [ 4.067652468009043e-09 8.255557904468852e-10 1.422490269730011e-09 ] ] "source-value" [ [ -2.2356456 0.2788347 0.1154582 ] [ -0.1937849 -0.5011236 0.6229967 ] [ -1.1360482 0.8825742 -0.7184971 ] [ 1.5237115 0.9643136 -2.0526282 ] [ -0.550011 -0.6827602 2.1016395 ] [ 0.6606506 -1.0071626 -0.2434476 ] [ -0.6077014 -0.4499475 -0.71337 ] [ 2.538829 0.5152714 0.8878486 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.770307192317585e-18 "source-value" -36.015425 } }