{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.47225e-10 0.0 0.0 ] "source-value" [ 5.47225 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] "source-value" [ -0.0720088 5.55574 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] "source-value" [ -0.0610026 -0.0268755 5.37267 ] } "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" [ [ 1.318718892177416e-09 -1.338610555795296e-10 -2.839344242325709e-09 ] [ 2.462298730969997e-09 -7.510973556954605e-10 -2.11461358684343e-09 ] [ -4.967180112167616e-11 2.3616083390592e-12 3.115305386539571e-09 ] [ -3.480134301161683e-10 1.969778742935056e-09 5.235378069783053e-10 ] [ -4.440556513017651e-09 -8.787107075204143e-09 -6.36176735452276e-09 ] [ 4.840838552122488e-09 8.184718946921476e-09 6.321327455307796e-09 ] [ 7.034814676135949e-10 -6.39789339318622e-10 2.628082354630656e-10 ] [ -4.487095738410338e-09 1.549953673845024e-10 1.092746299403163e-09 ] ] "source-value" [ [ 0.8230796000000002 -0.08354950000000001 -1.7721793000000003 ] [ 1.5368460000000004 -0.4687981000000001 -1.3198380000000003 ] [ -0.031002700000000008 0.0014739999999999992 1.9444207000000004 ] [ -0.21721290000000004 1.2294392000000003 0.3267666000000001 ] [ -2.7715774000000004 -5.484480900000001 -3.970702900000001 ] [ 3.021413800000001 5.108499800000001 3.945462300000001 ] [ 0.4390786000000001 -0.3993251000000001 0.16403200000000004 ] [ -2.8006249000000003 0.09674050000000002 0.6820386000000002 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.05094e-12 -7.580470000000001e-12 1.42316e-11 ] [ 1.30951e-10 1.38319e-10 1.48801e-10 ] [ -6.02099e-12 2.69484e-10 2.70363e-10 ] [ 1.30902e-10 4.05591e-10 4.11478e-10 ] [ 2.76224e-10 8.53385e-12 2.86654e-10 ] [ 4.01949e-10 1.17816e-10 4.04456e-10 ] [ 2.72232e-10 2.71295e-10 6.983420000000001e-12 ] [ 4.15368e-10 4.127030000000001e-10 1.42088e-10 ] ] "source-value" [ [ 0.0205094 -0.0758047 0.142316 ] [ 1.30951 1.38319 1.48801 ] [ -0.0602099 2.69484 2.70363 ] [ 1.30902 4.05591 4.11478 ] [ 2.76224 0.0853385 2.86654 ] [ 4.01949 1.17816 4.04456 ] [ 2.72232 2.71295 0.0698342 ] [ 4.15368 4.12703 1.42088 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.677739675656581e-18 "source-value" -35.437664 } }