{ "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" [ 5.45864 0 0 ] "si-unit" "m" "si-value" [ 5.45864e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.103818 5.38839 0 ] "si-unit" "m" "si-value" [ 1.03818e-11 5.388390000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.113176 0.0705962 5.39093 ] "si-unit" "m" "si-value" [ 1.13176e-11 7.05962e-12 5.39093e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.09055980000000001 0.3953146000000001 0.43824780000000013 ] [ -0.6407266000000001 -0.29091240000000007 -0.040620100000000006 ] [ 0.37566880000000014 -0.3909884000000001 0.4735354000000001 ] [ -0.6580638000000001 -0.3953641000000001 1.0310796000000002 ] [ -0.026394200000000007 0.6900386000000001 -0.28712170000000004 ] [ 0.34683800000000004 0.22863590000000006 0.28285030000000005 ] [ 0.9506185000000003 0.21039100000000005 -0.7218711000000001 ] [ -0.2573810000000001 -0.4471151000000001 -1.1761002000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.450927943443239e-10 6.333638099809039e-10 7.021503792770345e-10 ] [ -1.026557178844674e-09 -4.66093045980818e-10 -6.50805745545581e-11 ] [ 6.018877685239913e-10 -6.264324734839989e-10 7.586873470011766e-10 ] [ -1.054334435354807e-09 -6.334431177236335e-10 1.651971629303816e-09 ] [ -4.228817016471937e-11 1.105563712369563e-09 -4.600196750643514e-10 ] [ 5.556957348050305e-10 3.663150936555669e-10 4.531761378462663e-10 ] [ 1.523058735999965e-09 3.370835414267329e-10 -1.156564999651179e-09 ] [ -4.12369820838125e-10 -7.163573600266543e-10 -1.884320244158204e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 661.02029 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.059071254512436e-16 } }