{ "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" [ 5.43103 0 0 ] "si-unit" "m" "si-value" [ 5.43103e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00138287 5.43667 0 ] "si-unit" "m" "si-value" [ 1.38287e-13 5.43667e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0279747 -0.147199 5.47761 ] "si-unit" "m" "si-value" [ -2.79747e-12 -1.47199e-11 5.477610000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0723979 0.065909 0.162895 ] [ 1.32756 1.26807 1.42197 ] [ -0.0160699 2.71544 2.70238 ] [ 1.33005 4.08077 4.07687 ] [ 2.7682 0.027954 2.60436 ] [ 4.1716 1.44154 4.20195 ] [ 2.84836 2.7461 0.066427 ] [ 4.17903 4.06877 1.34805 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.239790000000001e-12 6.5909e-12 1.62895e-11 ] [ 1.32756e-10 1.26807e-10 1.42197e-10 ] [ -1.60699e-12 2.71544e-10 2.70238e-10 ] [ 1.33005e-10 4.08077e-10 4.07687e-10 ] [ 2.7682e-10 2.7954e-12 2.60436e-10 ] [ 4.1716e-10 1.44154e-10 4.20195e-10 ] [ 2.84836e-10 2.7461e-10 6.6427e-12 ] [ 4.17903e-10 4.06877e-10 1.34805e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.6017633 0.1584832 -3.5150864 ] [ 0.9537339 2.6542791 -0.6295174 ] [ 1.245777 -0.1130606 1.0230604 ] [ 0.9445353 -0.109496 0.7228452 ] [ 0.5640156 -0.9069791 3.0394071 ] [ -0.5653064 -2.3838862 -1.4935325 ] [ -2.9712212 0.7617787 -0.3791783 ] [ -1.7732976 -0.061119 1.2320018 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.566307732458732e-09 2.539180799215488e-10 -5.631789296571177e-09 ] [ 1.528050169633693e-09 4.252623954134549e-09 -1.008598068976432e-09 ] [ 1.995954800574618e-09 -1.811430515460204e-10 1.639123468050694e-09 ] [ 1.51331238764818e-09 -1.75431932716464e-10 1.158125689439057e-09 ] [ 9.036526155314903e-10 -1.453140721546349e-09 4.869667036833701e-09 ] [ -9.057207051306575e-10 -3.81940676775505e-09 -2.392902873619605e-09 ] [ -4.76042118108544e-09 1.220504033418896e-09 -6.075106123798421e-10 ] [ -2.841135979848278e-09 -9.792343369344599e-11 1.973884497005941e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.573317 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.699473729127498e-18 } }