{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45078e-10 0.0 0.0 ] "source-value" [ 5.45078 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] "source-value" [ 0.124172 5.56718 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] "source-value" [ -0.0770044 0.0388551 5.42613 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -2.442440392625829e-09 2.352159182002708e-09 6.380687938890774e-09 ] [ -5.666797450207165e-09 -2.952814075616993e-09 1.770006864876069e-09 ] [ -5.156999589493517e-10 -2.001663820083258e-09 -2.030404305177817e-09 ] [ 5.644594646813781e-09 -2.491171555853434e-10 -1.075853589984096e-09 ] [ -5.745737653619954e-09 -2.103758199366862e-09 6.259700853112358e-10 ] [ 4.294623857688703e-09 2.919364472998579e-10 1.04588087085048e-09 ] [ -1.212859077399608e-09 2.189173279157289e-09 -5.382702375724827e-09 ] [ 5.644316188517086e-09 2.474084342192602e-09 -1.333585328824157e-09 ] ] "source-value" [ [ -1.5244514000000005 1.4681023000000002 3.982512200000001 ] [ -3.5369368000000008 -1.8430016000000005 1.1047514000000003 ] [ -0.32187460000000007 -1.2493403000000003 -1.2672787000000003 ] [ 3.5230789000000007 -0.15548670000000003 -0.6714950000000001 ] [ -3.586207400000001 -1.3130626000000003 0.3906998000000001 ] [ 2.6804934000000005 0.18221240000000002 0.6527875000000001 ] [ -0.7570071000000003 1.3663745000000003 -3.359618600000001 ] [ 3.522905100000001 1.5442020000000005 -0.8323585000000002 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -4.1219e-12 -9.108e-12 -1.41264e-11 ] [ 1.43794e-10 1.32483e-10 1.35293e-10 ] [ -7.165440000000001e-13 2.71531e-10 2.76218e-10 ] [ 1.33045e-10 4.09617e-10 4.06457e-10 ] [ 2.76499e-10 -4.09375e-12 2.74385e-10 ] [ 3.91349e-10 1.4388e-10 4.069950000000001e-10 ] [ 2.74821e-10 2.70058e-10 1.27143e-11 ] [ 4.06928e-10 4.06454e-10 1.39302e-10 ] ] "source-value" [ [ -0.041219 -0.09108 -0.141264 ] [ 1.43794 1.32483 1.35293 ] [ -0.00716544 2.71531 2.76218 ] [ 1.33045 4.09617 4.06457 ] [ 2.76499 -0.0409375 2.74385 ] [ 3.91349 1.4388 4.06995 ] [ 2.74821 2.70058 0.127143 ] [ 4.06928 4.06454 1.39302 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.726991546285946e-18 "source-value" -35.74507 } }