{ "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" [ 5.44141 0 0 ] "si-unit" "m" "si-value" [ 5.441410000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0387259 5.36248 0 ] "si-unit" "m" "si-value" [ 3.87259e-12 5.36248e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.184794 -0.00314768 5.51994 ] "si-unit" "m" "si-value" [ -1.84794e-11 -3.14768e-13 5.51994e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.139299 -0.0133288 0.0135909 ] [ 1.42253 1.35934 1.29237 ] [ 0.0199653 2.64656 2.62294 ] [ 1.43068 4.14401 3.95964 ] [ 2.73386 -0.0804287 2.7169 ] [ 4.04879 1.39288 4.20461 ] [ 2.82765 2.77065 0.103593 ] [ 4.1636 4.04392 1.34337 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39299e-11 -1.33288e-12 1.35909e-12 ] [ 1.42253e-10 1.35934e-10 1.29237e-10 ] [ 1.99653e-12 2.64656e-10 2.62294e-10 ] [ 1.43068e-10 4.14401e-10 3.95964e-10 ] [ 2.73386e-10 -8.042870000000001e-12 2.7169e-10 ] [ 4.04879e-10 1.39288e-10 4.20461e-10 ] [ 2.827650000000001e-10 2.77065e-10 1.03593e-11 ] [ 4.1636e-10 4.04392e-10 1.34337e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.7604132 0.131278 -1.2219659999999999 ] [ -0.5332705 -0.9972538 0.36521629999999994 ] [ 0.5083876 0.3205814 1.5622260999999997 ] [ -2.5964087 -1.718916 2.5663281999999996 ] [ 0.9711759 2.4333811 -0.41817309999999996 ] [ -1.1803911 0.4858787 -1.4453208999999998 ] [ -0.4611253 -0.3465752 -2.4058732999999997 ] [ -0.4687809 -0.3083742 0.9975624999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.024846163225168e-09 2.10330544158252e-10 -1.957805372742443e-09 ] [ -8.543935347014968e-10 -1.597776736527709e-09 5.851410222159341e-10 ] [ 8.145267337353385e-10 5.136280283750076e-10 2.502962154444947e-09 ] [ -4.159905351454315e-09 -2.754007051008744e-09 4.111711077215278e-09 ] [ 1.55599533448392e-09 3.898706340037217e-09 -6.699871697873453e-10 ] [ -1.891195039401557e-09 7.784635000982957e-10 -2.31565937461185e-09 ] [ -7.388041810062401e-10 -5.552746873638768e-10 -3.854633985624472e-09 ] [ -7.510698044454906e-10 -4.940699377684428e-10 1.598271328454625e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.375391292303476 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.507544871313569e-18 } }