{ "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" [ 5.46402 0 0 ] "si-unit" "m" "si-value" [ 5.46402e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0122514 5.46447 0 ] "si-unit" "m" "si-value" [ 1.22514e-12 5.464470000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0384841 0.0769758 5.42124 ] "si-unit" "m" "si-value" [ -3.848410000000001e-12 7.69758e-12 5.42124e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.184284 -0.0140014 0.000758292 ] [ 1.32272 1.33713 1.35336 ] [ -0.167119 2.81332 2.70768 ] [ 1.35941 4.15239 4.11153 ] [ 2.7301 0.0328947 2.73301 ] [ 3.99842 1.37193 4.14824 ] [ 2.79546 2.80288 -0.167 ] [ 4.15007 4.1513 1.18971 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.84284e-11 -1.40014e-12 7.582920000000001e-14 ] [ 1.32272e-10 1.33713e-10 1.35336e-10 ] [ -1.67119e-11 2.81332e-10 2.70768e-10 ] [ 1.35941e-10 4.15239e-10 4.11153e-10 ] [ 2.7301e-10 3.28947e-12 2.73301e-10 ] [ 3.99842e-10 1.37193e-10 4.148240000000001e-10 ] [ 2.79546e-10 2.80288e-10 -1.67e-11 ] [ 4.150070000000001e-10 4.1513e-10 1.18971e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5613635 0.3507954 -0.6052834 ] [ 1.4409101 2.7850046 0.6485425 ] [ 1.7892639 -1.0530347 0.3171009 ] [ -0.7100246 -0.0332062 -2.9347385 ] [ 0.003991 -0.7567532 -0.9709191 ] [ 1.9990213 -0.2246331 -1.3432278 ] [ -0.9629355 -1.5561193 3.4610393 ] [ -0.9988628 0.4879464 1.4274861 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.103756717070461e-09 5.620361885641844e-10 -9.697709124383349e-10 ] [ 2.30859247489459e-09 4.462069258940455e-09 1.039079631095184e-09 ] [ 2.866716789021429e-09 -1.687147577231142e-09 5.080516484146388e-10 ] [ -1.137584814312872e-09 -5.320219730560896e-11 -4.701969412861661e-09 ] [ 6.394286893612799e-12 -1.212452284755587e-09 -1.555583882708178e-09 ] [ 3.202785191341223e-09 -3.599019010778285e-10 -2.152088177568618e-09 ] [ -1.542792745438359e-09 -2.493177961635661e-09 5.545196250129998e-09 ] [ -1.600354625546826e-09 7.817763142835251e-10 2.287084855936971e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.789636 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.734131806614203e-18 } }