{ "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" [ [ -1.7950357 0.0848219 0.0002228 ] [ -0.1789947 -0.5320105 0.5873734 ] [ -0.992787 0.8282303 -0.4340265 ] [ 1.2272579 0.9312733 -1.728772 ] [ -0.4534445 -0.7657716 1.7547719 ] [ 0.5827737 -0.8833388 -0.4178384 ] [ -0.4416454 -0.2789116 -0.6781937 ] [ 2.0518757 0.6157069 0.9164627 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.875964232041362e-09 1.358996651118355e-10 3.5696495111424e-13 ] [ -2.867811235871098e-10 -8.523747851201185e-10 9.410759291598069e-10 ] [ -1.59062012083417e-09 1.32697122329817e-09 -6.953871111076512e-10 ] [ 1.966283915072104e-09 1.492064308835265e-09 -2.769798081093657e-09 ] [ -7.264981767303456e-10 -1.226901354392609e-09 2.811454513016796e-09 ] [ 9.337063973571128e-10 -1.415264773605527e-09 -6.694509157524787e-10 ] [ -7.075939345638644e-10 -4.468656447899213e-10 -1.086586090513849e-09 ] [ 3.287467275327635e-09 9.864712004452434e-10 1.468335111775244e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.165316 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.794322377904417e-18 } }