{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8457602 0.3184924 -0.33754499999999993 ] [ -0.8639207 0.7494711 -1.8143919999999996 ] [ -1.2510164 -0.0095317 -0.4865261999999999 ] [ 1.4007168 0.3302905 0.6425689999999998 ] [ -0.5442374 -2.3307877 0.5255041999999999 ] [ 1.205855 1.1684067 2.3359221999999997 ] [ -1.4484293 -2.6152575 -3.385950199999999 ] [ 3.3467922 2.3889162 2.5204177999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.957233864407167e-09 5.102810813865815e-10 -5.408067119235298e-10 ] [ -1.384153559168924e-09 1.200785084278277e-09 -2.906976467316527e-09 ] [ -2.004349244830797e-09 -1.52714670222978e-11 -7.795009094688105e-10 ] [ 2.244195727811251e-09 5.291837215321769e-10 1.029509037532746e-09 ] [ -8.719644456289115e-10 -3.734333591754602e-09 8.419505503088625e-10 ] [ 1.931992704992069e-09 1.871993913749048e-09 3.742559967681874e-09 ] [ -2.320639580460976e-09 -4.190104458393254e-09 -5.424890294327625e-09 ] [ 5.362152261693454e-09 3.82746571622407e-09 4.038154507077685e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.709314 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.721262850696907e-18 } }