{ "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" [ 5.39198 0 0 ] "si-unit" "m" "si-value" [ 5.39198e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0815956 5.53401 0 ] "si-unit" "m" "si-value" [ 8.15956e-12 5.534010000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.109849 -0.0410552 5.55668 ] "si-unit" "m" "si-value" [ -1.09849e-11 -4.10552e-12 5.55668e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0600222 -0.0188866 -0.0475744 ] [ 1.35953 1.30974 1.45574 ] [ -0.0201429 2.70129 2.75612 ] [ 1.43727 3.87805 4.08993 ] [ 2.67575 -0.0837777 2.76281 ] [ 3.98871 1.3119 4.2787 ] [ 2.73779 2.77507 0.256836 ] [ 4.26747 4.05038 1.42682 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.00222e-12 -1.88866e-12 -4.75744e-12 ] [ 1.35953e-10 1.30974e-10 1.45574e-10 ] [ -2.01429e-12 2.70129e-10 2.75612e-10 ] [ 1.43727e-10 3.87805e-10 4.08993e-10 ] [ 2.67575e-10 -8.37777e-12 2.76281e-10 ] [ 3.98871e-10 1.3119e-10 4.2787e-10 ] [ 2.73779e-10 2.77507e-10 2.56836e-11 ] [ 4.26747e-10 4.05038e-10 1.42682e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2929773000000002 -0.28767180000000003 2.2241534000000005 ] [ -0.48776750000000013 -0.3474687000000001 -0.6884945000000001 ] [ 0.6178244000000002 -1.8669018000000004 1.8137893000000005 ] [ 1.0187256000000002 0.7089589000000001 -0.07751850000000002 ] [ 0.4486130000000001 -0.4899306000000001 0.9707696000000002 ] [ -1.1354071000000001 1.1884636000000002 -1.6045619000000004 ] [ 0.13721170000000002 -0.8294606000000002 -1.8678817000000005 ] [ -1.8921775000000005 1.9240110000000004 -0.7702556000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.071578018352408e-09 -4.609010362207212e-10 3.563486607911656e-09 ] [ -7.814896913245951e-10 -5.567062321863559e-10 -1.103089800537513e-09 ] [ 9.898638175950698e-10 -2.991106441932542e-09 2.906010835459216e-09 ] [ 1.632178352777631e-09 1.135877384046342e-09 -1.24198329402729e-10 ] [ 7.187572663086421e-10 -7.849553596016005e-10 1.555344370117527e-09 ] [ -1.819122725697701e-09 1.904128610279522e-09 -2.570791583986645e-09 ] [ 2.198373796514178e-10 -1.32894239214362e-09 -2.992676414816198e-09 ] [ -3.031602577880535e-09 3.082605467758974e-09 -1.234085524527651e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.279813 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.492231540648943e-18 } }