{ "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" [ [ 1.8995287 1.5177522 -2.6953076 ] [ -0.6833548 3.5300769 -0.8699337 ] [ 0.706286 -0.3787763 -3.0317448 ] [ -0.275828 -0.9792521 4.8341437 ] [ 0.3059654 0.6373265 -1.1695945 ] [ -1.7068759 1.1266291 3.3115608 ] [ 0.5193758 -1.2693081 -2.0486446 ] [ -0.7650973 -4.1844481 1.6695206 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.043380473678617e-09 2.431707091007766e-09 -4.318358822584558e-09 ] [ -1.09485508427146e-09 5.65580667880614e-09 -1.393787435786041e-09 ] [ 1.131594916798349e-09 -6.06866532373127e-10 -4.857390638791972e-09 ] [ -4.419251729620224e-10 -1.568934820489304e-09 7.74515201772761e-09 ] [ 4.902106106537204e-10 1.021109618116291e-09 -1.873896963716266e-09 ] [ -2.734716661586959e-09 1.805058804332945e-09 5.305705292117746e-09 ] [ 8.321317641692967e-10 -2.033655762412069e-09 -3.282290482448167e-09 ] [ -1.225821006697204e-09 -6.704224916770981e-09 2.674866873263988e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.311448 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.657517643219492e-18 } }