{ "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" [ 5.42333 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0707092 5.40512 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00203562 -0.0726392 5.50089 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ -0.00542909 0.0277818 -0.0388963 ] [ 1.35422 1.36306 1.38504 ] [ 0.0297601 2.72434 2.72311 ] [ 1.36125 4.06894 4.03995 ] [ 2.72846 0.00923744 2.71344 ] [ 4.08711 1.36473 3.96445 ] [ 2.72619 2.69674 -0.100972 ] [ 4.11061 4.07011 1.39355 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ -0.57205 0.430874 0.170702 ] [ 0.318475 0.029189 -0.986758 ] [ 0.102083 0.103005 -0.418751 ] [ 0.8171 -0.181323 0.651675 ] [ -0.688311 -0.145052 -0.067378 ] [ 0.236969 -0.444173 1.507736 ] [ -0.116106 0.522733 0.611535 ] [ -0.09816 -0.315252 -1.46876 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -36.081288 } }