{ "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" [ 5.46497 0 0 ] "si-unit" "m" "si-value" [ 5.46497e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00264453 5.45437 0 ] "si-unit" "m" "si-value" [ 2.64453e-13 5.45437e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00434361 0.134648 5.52148 ] "si-unit" "m" "si-value" [ -4.343610000000001e-13 1.34648e-11 5.521480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.000601708 -0.00129581 -0.00103934 ] [ 1.36071 1.38338 1.29931 ] [ 0.0379757 2.81246 2.65752 ] [ 1.43056 4.2109 3.80234 ] [ 2.71672 0.059655 2.71923 ] [ 4.18219 1.40754 3.91392 ] [ 2.71688 2.7266 0.0375018 ] [ 4.08381 4.07468 1.29537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.017079999999999e-14 -1.29581e-13 -1.03934e-13 ] [ 1.36071e-10 1.38338e-10 1.29931e-10 ] [ 3.79757e-12 2.812460000000001e-10 2.65752e-10 ] [ 1.43056e-10 4.2109e-10 3.80234e-10 ] [ 2.71672e-10 5.9655e-12 2.71923e-10 ] [ 4.18219e-10 1.40754e-10 3.91392e-10 ] [ 2.71688e-10 2.7266e-10 3.75018e-12 ] [ 4.08381e-10 4.07468e-10 1.29537e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.3198013 -0.35579 -1.5284791 ] [ -0.2012839 -0.0959279 0.5280727 ] [ -0.0280341 -0.4734383 -0.8988705 ] [ -1.659909 -1.4597109 4.2784613 ] [ 1.9631014 1.2570031 -2.6039594 ] [ -0.7241798 0.3881596 2.0573557 ] [ 0.3322067 -0.0925737 -2.3713919 ] [ -0.0017026 0.8322781 0.5388112 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.12378166161447e-10 -5.70038419914432e-10 -2.448893479401425e-09 ] [ -3.224923587234452e-10 -1.536934386624403e-10 8.460657340227321e-10 ] [ -4.491557960516928e-11 -7.585317756512967e-10 -1.440149300226806e-09 ] [ -2.659467392455507e-09 -2.338714677106927e-09 6.854850667857575e-09 ] [ 3.145235167339749e-09 2.013940979093124e-09 -4.172002872192396e-09 ] [ -1.16026394481562e-09 6.219002362590797e-10 3.296247203209619e-09 ] [ 5.322538080131194e-10 -1.48319417840953e-10 -3.799388660934491e-09 ] [ -2.72786591457408e-12 1.333456513823844e-09 8.63270707665193e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.791725 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.734466501310288e-18 } }