{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.45864e-10 0.0 0.0 ] "source-value" [ 5.45864 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] "source-value" [ 0.103818 5.38839 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] "source-value" [ 0.113176 0.0705962 5.39093 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 5.222776950660461e-10 -8.717330841409344e-11 -9.226182136175424e-10 ] [ -2.044812999963996e-09 -9.218262577138809e-10 1.30084260653084e-09 ] [ 6.519572298829498e-10 -1.799182501140837e-09 -3.494361629554387e-10 ] [ -1.358363791353139e-09 -1.090458551406323e-09 2.323644603811682e-09 ] [ 8.354963350729767e-10 1.268367127297872e-09 -1.757292151431062e-09 ] [ -1.060918099524999e-10 1.560096092725336e-09 2.358007927756938e-09 ] [ 1.867408629055012e-09 6.666765867159015e-10 -1.429632452670213e-09 ] [ -3.678712878073498e-10 4.035009721536864e-10 -1.523515997207541e-09 ] ] "source-value" [ [ 0.32598010000000005 -0.054409300000000015 -0.5758530000000001 ] [ -1.2762719000000002 -0.5753587000000001 0.8119221000000002 ] [ 0.4069197000000001 -1.1229614000000003 -0.21810090000000004 ] [ -0.8478240000000002 -0.6806107000000001 1.4503049000000001 ] [ 0.5214758000000002 0.7916525000000002 -1.0968155000000002 ] [ -0.06621730000000002 0.9737354000000003 1.4717528000000002 ] [ 1.1655448000000002 0.4161068000000001 -0.8923064000000003 ] [ -0.22960720000000007 0.25184550000000006 -0.9509039000000002 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 4.32489e-14 -6.72518e-15 1.22781e-12 ] [ 1.51992e-10 1.38746e-10 1.2495e-10 ] [ 1.55886e-11 2.80678e-10 2.64329e-10 ] [ 1.56947e-10 4.13166e-10 3.92938e-10 ] [ 2.77407e-10 -2.90867e-12 2.65575e-10 ] [ 4.2526e-10 1.27774e-10 3.82666e-10 ] [ 2.78396e-10 2.65139e-10 -8.71139e-12 ] [ 4.18696e-10 3.99308e-10 1.34271e-10 ] ] "source-value" [ [ 0.000432489 -6.72518e-05 0.0122781 ] [ 1.51992 1.38746 1.2495 ] [ 0.155886 2.80678 2.64329 ] [ 1.56947 4.13166 3.92938 ] [ 2.77407 -0.0290867 2.65575 ] [ 4.2526 1.27774 3.82666 ] [ 2.78396 2.65139 -0.0871139 ] [ 4.18696 3.99308 1.34271 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.200988009656951e-18 "source-value" -26.220505 } }