{ "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" [ [ -2.2697947 0.0552039 -0.0484081 ] [ -0.0203698 -0.4731416 0.565519 ] [ -1.4503311 1.0053279 -0.7398153 ] [ 1.8234879 1.5739659 -2.3531272 ] [ -1.038702 -1.2348992 2.4555426 ] [ 0.8783095 -1.0536725 -0.2825859 ] [ -0.5273502 -0.2588175 -0.5399646 ] [ 2.6047504 0.3860331 0.9428395 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.636612032317039e-09 8.844639868567259e-11 -7.75583267163354e-11 ] [ -3.26360175992532e-11 -7.580564160933743e-10 9.060613278830459e-10 ] [ -2.323686599983517e-09 1.610712870888288e-09 -1.1853147871357e-09 ] [ 2.921549705761728e-09 2.52177138769278e-09 -3.770125416669844e-09 ] [ -1.664184074089068e-09 -1.978526643585293e-09 3.934212977511608e-09 ] [ 1.407206958320223e-09 -1.688169459388365e-09 -4.527525260778606e-10 ] [ -8.449081683752267e-10 -4.146713509702949e-10 -8.651186653071564e-10 ] [ 4.173270228282153e-09 6.184932127705853e-10 1.510595416512243e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.546028292303475 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.534883932743155e-18 } }