{ "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" [ 5.49393 0 0 ] "si-unit" "m" "si-value" [ 5.49393e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.002595 5.45604 0 ] "si-unit" "m" "si-value" [ 2.595e-13 5.45604e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698117 0.0748179 5.57684 ] "si-unit" "m" "si-value" [ -6.981170000000001e-12 7.48179e-12 5.57684e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0568347 0.000259582 0.0366732 ] [ 1.4042 1.34788 1.25876 ] [ -0.0116956 2.70772 2.89683 ] [ 1.4664 4.01047 4.21293 ] [ 2.72042 0.0465962 2.58375 ] [ 4.04434 1.40284 4.02526 ] [ 2.59741 2.72967 0.138309 ] [ 4.11134 4.10597 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.683470000000001e-12 2.59582e-14 3.66732e-12 ] [ 1.4042e-10 1.34788e-10 1.25876e-10 ] [ -1.16956e-12 2.70772e-10 2.89683e-10 ] [ 1.4664e-10 4.01047e-10 4.21293e-10 ] [ 2.72042e-10 4.65962e-12 2.583750000000001e-10 ] [ 4.04434e-10 1.40284e-10 4.02526e-10 ] [ 2.59741e-10 2.72967e-10 1.38309e-11 ] [ 4.11134e-10 4.10597e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5233144 -0.4057438 -1.5819435 ] [ -2.4254874 -0.6407727 2.0030803 ] [ 0.6093834 0.6027641 -1.6006297 ] [ -2.0867266 1.9577273 -1.0584518 ] [ 0.3389874 -0.6688722 1.7478332 ] [ -0.7131243 -0.3767965 1.860325 ] [ 3.5733391 0.1439096 -1.6873484 ] [ 0.1803141 -0.6122158 0.317135 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.384421039157295e-10 -6.500732357503691e-10 -2.534552912008179e-09 ] [ -3.886059238341412e-09 -1.026631047645092e-09 3.20928845268571e-09 ] [ 9.763398446274755e-10 9.657345568340394e-10 -2.564491505026429e-09 ] [ -3.343304600066264e-09 3.136624935803908e-09 -1.695826742175241e-09 ] [ 5.431176915004115e-10 -1.071651409972175e-09 2.800337513169449e-09 ] [ -1.142551090597606e-09 -6.036945480729809e-10 2.98056924664605e-09 ] [ 5.725120411378589e-09 2.305685985282864e-10 -2.703430179897286e-09 ] [ 2.888950378007394e-10 -9.80877849725617e-10 5.0810628682359e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.564763 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.698103227234774e-18 } }