{ "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" [ [ 0.16037630000000003 -0.7975439000000002 0.13660900000000004 ] [ -0.5096112000000002 0.6598448000000001 0.6236355000000001 ] [ 0.08751370000000001 -0.07846020000000001 -0.4705550000000001 ] [ -0.24882760000000007 1.2693307000000003 -0.6438910000000001 ] [ -0.21990690000000004 -0.26071060000000007 -0.15289060000000002 ] [ -1.3217351000000002 0.11195940000000003 0.12616550000000004 ] [ 0.4821765000000001 -1.3310861000000003 -0.8250518000000002 ] [ 1.5700144000000005 0.4266658000000001 1.2059784000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.569511583904071e-10 -1.277806190641653e-09 2.188717459908673e-10 ] [ -8.164871503378332e-10 1.057187911916452e-09 9.991742180009187e-10 ] [ 1.40212404139705e-10 -1.257070981032922e-10 -7.539122198005442e-10 ] [ -3.986657633297742e-10 2.033691971603699e-09 -1.031627106543533e-09 ] [ -3.523296939326036e-10 -4.177044281147406e-10 -2.449577448600845e-10 ] [ -2.11765307611075e-09 1.793787331587956e-10 2.021394144515425e-10 ] [ 7.725319153991715e-10 -2.132635029691851e-09 -1.321878704908958e-09 ] [ 2.51544036599934e-09 6.835939696549288e-10 1.932190397669791e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.793094 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.894903501369677e-18 } }