{ "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" [ 5.47225 0 0 ] "si-unit" "m" "si-value" [ 5.47225e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0720088 5.55574 0 ] "si-unit" "m" "si-value" [ -7.20088e-12 5.55574e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0610026 -0.0268755 5.37267 ] "si-unit" "m" "si-value" [ -6.10026e-12 -2.68755e-12 5.37267e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6086816000000002 0.26792950000000004 -1.0844742000000003 ] [ 1.0312784000000002 -0.5158085000000001 -0.7964615000000003 ] [ -0.26030710000000007 0.11593880000000002 1.3490244000000002 ] [ -0.14898640000000002 0.6573153000000002 -0.0017659000000000004 ] [ -2.6042261000000004 -3.794900100000001 -3.1123920000000007 ] [ 2.8346935000000006 3.551357400000001 3.042589000000001 ] [ 0.3767968000000001 -0.26289650000000003 0.08843680000000001 ] [ -1.8379306000000004 -0.018935800000000003 0.5150435000000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.752154290311376e-10 4.292703809226337e-10 -1.737519209100784e-09 ] [ 1.652290142016031e-09 -8.264163195099171e-10 -1.276071994667299e-09 ] [ -4.170579498482478e-10 1.857544348036071e-10 2.161375354568748e-09 ] [ -2.387025268971572e-10 1.053135206154139e-09 -2.82928369467072e-12 ] [ -4.172430172697163e-09 -6.080100218491584e-09 -4.986601697164955e-09 ] [ 4.541679652833726e-09 5.689901798385076e-09 4.874764962503252e-09 ] [ 6.036950237522535e-10 -4.212066259901473e-10 1.416913733783655e-10 ] [ -2.944689437972917e-09 -3.033849605614464e-11 8.25190654395005e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.781838 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.732882429285303e-18 } }