{ "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" [ 5.42446 0 0 ] "si-unit" "m" "si-value" [ 5.42446e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00225581 5.46076 0 ] "si-unit" "m" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0117255 0.0343157 5.56103 ] "si-unit" "m" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0372905 0.0147783 0.198416 ] [ -0.4848118 0.8219239 -2.1131713 ] [ -1.2950095 0.6677576 0.1784803 ] [ 2.4468275 0.597127 0.3055452 ] [ 0.4941364 -2.3737068 1.6372135 ] [ -0.1747595 0.6415344 1.3216078 ] [ -0.4619154 -0.3267476 -1.3735611 ] [ 0.5128229 -0.0426668 -0.1545304 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.661922601770177e-09 2.36774469502422e-11 3.17897479011744e-10 ] [ -7.767541378474811e-10 1.316867267506153e-09 -3.385673680499404e-09 ] [ -2.074833961708023e-09 1.069865623895918e-09 2.859569662893102e-10 ] [ 3.920249847928635e-09 9.567029269305179e-10 4.895373800708568e-10 ] [ 7.916937940888775e-10 -3.803097570926911e-09 2.623105214569359e-09 ] [ -2.79995587469523e-10 1.027851425587209e-09 2.117449136472145e-09 ] [ -7.400700607647635e-10 -5.235073699355784e-10 -2.200687499791337e-09 ] [ 8.216328677601185e-10 -6.835975000755118e-11 -2.475849961226736e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.260208 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.809525800157986e-18 } }