{ "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" [ [ 1.307439 0.1997991 -1.6381952 ] [ 0.0991452 -0.5892225 1.4466997 ] [ -0.0574279 -1.3255914 -0.1405774 ] [ 0.3698274 0.6259882 2.607289 ] [ -0.4835235 1.0180495 -0.7311277 ] [ -0.5147451 0.6452602 0.2671566 ] [ 0.4766557 -0.2242132 -1.7761052 ] [ -1.1973708 -0.3500699 -0.0351399 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.094748198922131e-09 3.201134468768813e-10 -2.62467804974678e-09 ] [ 1.588481215045402e-10 -9.44038513949328e-10 2.317868436658374e-09 ] [ -9.200963876164033e-11 -2.123831549813541e-09 -2.252298236928499e-10 ] [ 5.925288140112498e-10 1.002943658936675e-09 4.177337479469012e-09 ] [ -7.746900473073888e-10 1.63109510771713e-09 -1.171395707759276e-09 ] [ -8.247125648913581e-10 1.033820806772732e-09 4.280320586124173e-10 ] [ 7.636866187110585e-10 -3.592291471147546e-10 -2.845634227521308e-09 ] [ -1.918399502188593e-09 -5.608738094257939e-10 -5.630032623724992e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -36.264119 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.810152363570908e-18 } }