{ "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" [ 5.40034 0 0 ] "si-unit" "m" "si-value" [ 5.40034e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00680429 5.47714 0 ] "si-unit" "m" "si-value" [ -6.804290000000001e-13 5.477140000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0750519 0.000428382 5.30288 ] "si-unit" "m" "si-value" [ 7.50519e-12 4.28382e-14 5.30288e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0542923 -0.0551564 0.0107349 ] [ 1.38568 1.34449 1.49834 ] [ -0.0627007 2.68919 2.77312 ] [ 1.41517 4.13638 3.9375 ] [ 2.74489 -0.0643812 2.6522 ] [ 4.02561 1.44985 4.00224 ] [ 2.7219 2.73875 0.136559 ] [ 4.01026 4.10579 1.40939 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.429230000000001e-12 -5.51564e-12 1.07349e-12 ] [ 1.38568e-10 1.34449e-10 1.49834e-10 ] [ -6.27007e-12 2.68919e-10 2.77312e-10 ] [ 1.41517e-10 4.13638e-10 3.9375e-10 ] [ 2.74489e-10 -6.43812e-12 2.6522e-10 ] [ 4.025610000000001e-10 1.44985e-10 4.00224e-10 ] [ 2.7219e-10 2.73875e-10 1.36559e-11 ] [ 4.01026e-10 4.10579e-10 1.40939e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4078478 1.1596015 0.3562784 ] [ -0.9370965 -0.1922375 -1.4517895 ] [ 1.1633798 1.226784 -1.0766148 ] [ -0.4516184 -1.2087101 1.4521443 ] [ -0.0477445 1.3405625 0.9363473 ] [ -0.0080129 -1.9915051 0.9336491 ] [ -1.2361257 0.3292803 -0.7325626 ] [ 1.1093703 -0.6637757 -0.4174523 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.534442100047142e-10 1.857886412744611e-09 5.708209229760307e-10 ] [ -1.501394103733507e-09 -3.0799842814104e-10 -2.326023195222922e-09 ] [ 1.86393991667098e-09 1.965524643571507e-09 -1.724927062167268e-09 ] [ -7.235724420031027e-10 -1.93656706354483e-09 2.326591647487982e-09 ] [ -7.64951216717856e-11 2.1478178962212e-09 1.500193753009204e-09 ] [ -1.283808104480832e-11 -3.190742911423966e-09 1.495870760050961e-09 ] [ -1.980491696910035e-09 5.275651983500103e-10 -1.173694670992462e-09 ] [ 1.777407158469882e-09 -1.063485907995154e-09 -6.688323153591878e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -27.46425 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.40025792578064e-18 } }