{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.5417e-10 0.0 0.0 ] "source-value" [ 5.5417 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] "source-value" [ -0.0877832 5.55439 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] "source-value" [ 0.0308884 0.040745 5.63916 ] } "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" [ [ 3.601818814423133e-09 2.520556276167216e-09 -2.842966603447676e-09 ] [ -1.425222301303799e-09 -1.581564618573408e-10 -1.108122708868305e-09 ] [ -2.046476219514048e-09 -1.101610661993063e-09 -3.070679640685104e-09 ] [ 3.695223308150842e-10 3.590608384607395e-09 3.379761941310115e-09 ] [ 1.329205138160552e-09 -1.886001247868748e-09 1.6365279284206e-09 ] [ 1.330910655173393e-09 -2.432990594698689e-09 -1.650347663080973e-09 ] [ -1.833393137654131e-09 4.845139114608038e-10 -5.87297707344338e-10 ] [ -1.326365280100184e-09 -1.016919605817575e-09 4.243124613913342e-09 ] ] "source-value" [ [ 2.2480785 1.5732075 -1.7744402 ] [ -0.8895538 -0.0987135 -0.6916358 ] [ -1.27731 -0.6875713 -1.9165675 ] [ 0.2306377 2.2410815 2.1094815 ] [ 0.8296246 -1.1771494 1.0214404 ] [ 0.8306891 -1.5185533 -1.030066 ] [ -1.144314 0.3024098 -0.3665624 ] [ -0.8278521 -0.6347113 2.6483501 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.700799963977418e-18 "source-value" -35.581595 } }