{ "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" [ 5.54692 0 0 ] "si-unit" "m" "si-value" [ 5.54692e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.123956 5.52099 0 ] "si-unit" "m" "si-value" [ 1.23956e-11 5.520990000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.202669 -0.109883 5.46638 ] "si-unit" "m" "si-value" [ 2.02669e-11 -1.09883e-11 5.466380000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.000314992 -0.0047744 0.0104344 ] [ 1.40487 1.33719 1.19876 ] [ 0.131099 2.68123 2.80213 ] [ 1.67848 4.08836 4.2255 ] [ 2.84099 -0.0865799 2.6392 ] [ 4.04763 1.27038 4.03721 ] [ 2.8307 2.64898 -0.0339665 ] [ 4.22323 4.11032 1.34741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.14992e-14 -4.7744e-13 1.04344e-12 ] [ 1.40487e-10 1.33719e-10 1.19876e-10 ] [ 1.31099e-11 2.68123e-10 2.80213e-10 ] [ 1.67848e-10 4.08836e-10 4.225500000000001e-10 ] [ 2.84099e-10 -8.65799e-12 2.639200000000001e-10 ] [ 4.04763e-10 1.27038e-10 4.03721e-10 ] [ 2.8307e-10 2.64898e-10 -3.39665e-12 ] [ 4.22323e-10 4.11032e-10 1.34741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7633274 0.2160907 -0.201094 ] [ -0.2820526 0.1401018 0.6160456 ] [ 0.1492237 0.1521978 0.20918 ] [ -0.1439684 -0.2761378 -0.5679937 ] [ -0.540066 0.0297815 -0.0191461 ] [ 0.974133 -0.4363725 -0.4408963 ] [ 0.1175813 0.6947929 0.5596162 ] [ 0.4884763 -0.5204544 -0.1557116 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.22298531429605e-09 3.462154675123066e-10 -3.221881053831552e-10 ] [ -4.518980815558541e-10 2.244678284919974e-10 9.870138576667085e-10 ] [ 2.39082723409273e-10 2.438477568971942e-10 3.35143305538944e-10 ] [ -2.306628046139827e-10 -4.424215272791462e-10 -9.100262269016891e-10 ] [ -8.652811188889729e-10 4.77152230323552e-11 -3.067543379949888e-11 ] [ 1.560733118149766e-09 -6.991458174600479e-10 -7.063937440572231e-10 ] [ 1.88386009903271e-10 1.113180940677832e-09 8.96603992260937e-10 ] [ 7.82625307674887e-10 -8.338598718724915e-10 -2.494774851073613e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 143.68051 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.302015539866206e-17 } }