{ "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" [ [ -0.0691874 0.116263 -0.0103997 ] [ -0.2062068 0.1329479 -0.6205652 ] [ -0.2551471 0.254431 -0.0878998 ] [ 0.5530113 0.0365176 0.0888826 ] [ 0.0993965 -0.7233205 0.6347264 ] [ -0.2477183 0.1159389 0.5214984 ] [ 0.0864838 0.0455075 -0.5239837 ] [ 0.039368 0.0217146 -0.002259 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.108504347339379e-10 1.862738604640704e-10 -1.666215620333376e-11 ] [ -3.303797140099815e-10 2.130060171644563e-10 -9.942550551220764e-10 ] [ -4.087907184849197e-10 4.076433998067648e-10 -1.408310045329958e-10 ] [ 8.86021775898215e-10 5.850764496772608e-11 1.424056237159181e-10 ] [ 1.592507484893472e-10 -1.158887194445366e-09 1.016943798684549e-09 ] [ -3.968884688043207e-10 1.857545950212691e-10 8.355325442646068e-10 ] [ 1.38562322437943e-10 7.2911052571056e-11 -8.39514433820281e-10 ] [ 6.307448920765441e-11 3.479062445002368e-11 -3.6193169863872e-12 ] ] } "unrelaxed-potential-energy" { "source-value" 146.33743 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.344584090939566e-17 } }