{ "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" [ 5.43856 0 0 ] "si-unit" "m" "si-value" [ 5.43856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00547847 5.34673 0 ] "si-unit" "m" "si-value" [ -5.47847e-13 5.34673e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698619 0.130192 5.52638 ] "si-unit" "m" "si-value" [ -6.986190000000001e-12 1.30192e-11 5.526379999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0176967 -0.0436428 -0.0335652 ] [ 1.35227 1.24207 1.37266 ] [ -0.0530244 2.758 2.7242 ] [ 1.3158 4.14206 3.88387 ] [ 2.73162 0.0656859 2.694 ] [ 4.07939 1.42095 3.99542 ] [ 2.69114 2.74306 -0.00706676 ] [ 4.05369 4.20359 1.27338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.76967e-12 -4.36428e-12 -3.35652e-12 ] [ 1.35227e-10 1.24207e-10 1.37266e-10 ] [ -5.30244e-12 2.758e-10 2.7242e-10 ] [ 1.3158e-10 4.14206e-10 3.88387e-10 ] [ 2.73162e-10 6.568590000000001e-12 2.694e-10 ] [ 4.07939e-10 1.42095e-10 3.99542e-10 ] [ 2.69114e-10 2.74306e-10 -7.06676e-13 ] [ 4.05369e-10 4.20359e-10 1.27338e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4182951 0.6182775 -1.9167624 ] [ -0.6218028 2.0085281 -0.4545259 ] [ 0.3583022 -0.2163035 -1.9768791 ] [ -0.367148 -0.2403344 2.8788175 ] [ 0.435264 0.2690991 -0.2618483 ] [ -1.1767014 0.7903611 2.1811572 ] [ 0.3465234 -0.9606139 -1.3963585 ] [ -0.3927325 -2.269014 0.9463996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.272359269336693e-09 9.90589763827935e-10 -3.070991930209762e-09 ] [ -9.962379171157752e-10 3.218016790552415e-09 -7.282307765278205e-10 ] [ 5.740634127507948e-10 -3.465564135524189e-10 -3.167309502262949e-09 ] [ -5.882359468198318e-10 -3.850581600264096e-10 4.612374132050294e-09 ] [ 6.97369810421376e-10 4.311442902504293e-10 -4.195272279126221e-10 ] [ -1.885283488275088e-09 1.266298086842537e-09 3.494599100920864e-09 ] [ 5.551916946142355e-10 -1.539073144875612e-09 -2.237212961387289e-09 ] [ -6.292268349124049e-10 -3.635361213018875e-09 1.516299325546946e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.70634129230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.5605689070158e-18 } }