{ "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" [ 5.43593 0 0 ] "si-unit" "m" "si-value" [ 5.43593e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00214695 5.43123 0 ] "si-unit" "m" "si-value" [ 2.14695e-13 5.43123e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0452237 0.0446124 5.47348 ] "si-unit" "m" "si-value" [ -4.52237e-12 4.461240000000001e-12 5.473480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0488145 -0.0723712 0.108622 ] [ 1.36095 1.35641 1.2952 ] [ -0.00863748 2.68477 2.74572 ] [ 1.30162 4.04466 3.93872 ] [ 2.7765 -0.0432881 2.8136 ] [ 4.0674 1.36091 4.19847 ] [ 2.70508 2.80909 0.166723 ] [ 4.1715 4.08924 1.48814 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.88145e-12 -7.23712e-12 1.08622e-11 ] [ 1.36095e-10 1.35641e-10 1.2952e-10 ] [ -8.63748e-13 2.68477e-10 2.74572e-10 ] [ 1.30162e-10 4.044660000000001e-10 3.93872e-10 ] [ 2.7765e-10 -4.328810000000001e-12 2.8136e-10 ] [ 4.0674e-10 1.36091e-10 4.19847e-10 ] [ 2.70508e-10 2.80909e-10 1.66723e-11 ] [ 4.1715e-10 4.089240000000001e-10 1.48814e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3280744 0.4982127 -1.6545658 ] [ 0.0291736 -0.5038453 1.5218601 ] [ 0.0356317 -1.201308 -0.0763991 ] [ 0.3728433 0.6929781 2.4990781 ] [ -0.4649888 0.9579281 -0.6636212 ] [ -0.4653542 0.4191101 0.1897187 ] [ 0.3947053 -0.4662139 -1.7871976 ] [ -1.2300852 -0.3968618 -0.0288733 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.127809754362988e-09 7.982247401256443e-10 -2.650906642335249e-09 ] [ 4.674125986457088e-11 -8.072491601599623e-10 2.43828867234835e-09 ] [ 5.708827669935937e-11 -1.924707591980006e-09 -1.224048518701613e-10 ] [ 5.973608184819206e-10 1.110273310546405e-09 4.003964505373285e-09 ] [ -7.44994184293847e-10 1.534770006227364e-09 -1.063238371707241e-09 ] [ -7.455796196310874e-10 6.714884037611501e-10 3.039628656685689e-10 ] [ 6.323876037658503e-10 -7.469570108719891e-10 -2.86340621146987e-09 ] [ -1.970813749032092e-09 -6.358426976486054e-10 -4.626012622534464e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -36.277945 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.812367532966827e-18 } }