{ "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" [ 5.45078 0 0 ] "si-unit" "m" "si-value" [ 5.45078e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.124172 5.56718 0 ] "si-unit" "m" "si-value" [ 1.24172e-11 5.56718e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0770044 0.0388551 5.42613 ] "si-unit" "m" "si-value" [ -7.70044e-12 3.88551e-12 5.42613e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.4657349000000001 0.4477315000000001 1.7550856000000004 ] [ -1.5828060000000004 -0.7240322000000001 0.32372340000000005 ] [ 0.0071540000000000015 -0.35818210000000006 -0.5736097000000001 ] [ 0.9990859000000002 0.30227040000000005 -0.12325270000000003 ] [ -1.4829918000000002 -0.5428141000000001 0.14674170000000003 ] [ 1.3203394000000002 -0.4263257000000001 0.13704270000000002 ] [ -0.3619125000000001 0.4382950000000001 -1.2574796000000001 ] [ 1.5668658000000004 0.8630571000000002 -0.4082515000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.46189568270626e-10 7.173449416957154e-10 2.811957115822741e-09 ] [ -2.535934768461965e-09 -1.16002746354639e-09 5.186620630858868e-10 ] [ 1.14619715452032e-11 -5.738709866090478e-10 -9.19024050804102e-10 ] [ 1.600712071150927e-09 4.842905680398644e-10 -1.974725943904762e-10 ] [ -2.37601479079811e-09 -8.696840604605934e-10 2.351061210364474e-10 ] [ 2.1154169182011e-09 -6.830490693861947e-10 2.195666099913082e-10 ] [ -5.798477462752801e-10 7.022260020135362e-10 -2.014704416252936e-09 ] [ 2.510395752691089e-09 1.382769908035448e-09 -6.540910087065314e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.186133 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.797657628975936e-18 } }