{ "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" [ 5.54387 0 0 ] "si-unit" "m" "si-value" [ 5.543870000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0557634 5.4256 0 ] "si-unit" "m" "si-value" [ 5.57634e-12 5.4256e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.136783 0.0146252 5.57946 ] "si-unit" "m" "si-value" [ -1.36783e-11 1.46252e-12 5.57946e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.00414448 -0.00753772 -0.01957 ] [ 1.42138 1.28295 1.34172 ] [ -0.029535 2.68233 2.78427 ] [ 1.30944 3.95933 4.27313 ] [ 2.73162 -0.0222546 2.83084 ] [ 4.1911 1.38332 4.19541 ] [ 2.73336 2.72737 0.0657353 ] [ 3.99828 4.07749 1.28506 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.14448e-13 -7.537720000000001e-13 -1.957e-12 ] [ 1.42138e-10 1.28295e-10 1.34172e-10 ] [ -2.9535e-12 2.68233e-10 2.78427e-10 ] [ 1.30944e-10 3.95933e-10 4.27313e-10 ] [ 2.73162e-10 -2.22546e-12 2.83084e-10 ] [ 4.1911e-10 1.38332e-10 4.19541e-10 ] [ 2.73336e-10 2.72737e-10 6.57353e-12 ] [ 3.99828e-10 4.07749e-10 1.28506e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.17502260000000003 -1.0555091000000003 0.5438224000000002 ] [ -0.7860426000000003 0.5113972000000001 1.0086061000000002 ] [ 0.04086990000000001 0.26554240000000007 -0.9468420000000002 ] [ -0.44067260000000014 1.7527016000000004 -1.5153711000000005 ] [ -0.34569590000000006 -0.17583750000000004 0.42465760000000013 ] [ -1.9100587000000004 0.21804730000000005 -0.13825440000000003 ] [ 0.7536666000000002 -2.1748404000000003 -1.1596358000000002 ] [ 2.5129107000000004 0.6584985000000001 1.7830172000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.804171201419284e-10 -1.69111201699437e-09 8.712995423258017e-10 ] [ -1.259379087048609e-09 8.193486445330248e-10 1.615965126329868e-09 ] [ 6.54807988139166e-11 4.254458286162816e-10 -1.517008128489828e-09 ] [ -7.060353429640285e-10 2.808137549894415e-09 -2.427892168258878e-09 ] [ -5.538658934496006e-10 -2.81722733880975e-10 6.803764841705185e-10 ] [ -3.060251418708416e-09 3.493502891667883e-10 -2.215079692276896e-10 ] [ 1.207507016346225e-09 -3.484478471559214e-09 -1.857941382709897e-09 ] [ 4.026126806868583e-09 1.055030910224049e-09 2.856708495860105e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.13381 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.789274607939553e-18 } }