{ "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" [ [ -0.9311474 -0.0858885 0.2024194 ] [ -0.195661 0.7862521 -1.6633855 ] [ -1.1410026 0.4007377 0.1600169 ] [ 2.1466887 0.5888084 0.0979208 ] [ 0.1051399 -2.0405767 1.4475357 ] [ -0.0749101 0.6521002 1.0073032 ] [ -0.4254874 -0.3265021 -1.0751615 ] [ 0.51638 0.0250689 -0.1766491 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.491862594798706e-09 -1.376085466955808e-10 3.243116302763635e-10 ] [ -3.134834798023488e-10 1.259714732674904e-09 -2.665037359477719e-09 ] [ -1.828087689992014e-09 6.420525740131641e-10 2.563753361128915e-10 ] [ 3.439374447275545e-09 9.433750526106548e-10 1.568864164500326e-10 ] [ 1.684526896932499e-10 -3.269364281689215e-09 2.319207856313363e-09 ] [ -1.200192108817901e-10 1.044779694859004e-09 1.613877637097026e-09 ] [ -6.81705964724978e-10 -5.231140312621037e-10 -1.72259861888426e-09 ] [ 8.273319634487039e-10 4.016480548917312e-11 -2.830230581053613e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -23.248885 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.724882000666781e-18 } }