{ "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" [ 5.42802 0 0 ] "si-unit" "m" "si-value" [ 5.42802e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0476613 5.42825 0 ] "si-unit" "m" "si-value" [ -4.76613e-12 5.42825e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0987222 -0.186163 5.49756 ] "si-unit" "m" "si-value" [ -9.87222e-12 -1.86163e-11 5.49756e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0306296 -0.063852 -0.0490719 ] [ 1.36252 1.37203 1.3263 ] [ 0.0367903 2.58342 2.70389 ] [ 1.37777 4.04701 4.07282 ] [ 2.72906 0.000401884 2.69217 ] [ 4.00266 1.36136 4.06132 ] [ 2.83534 2.75342 0.0381881 ] [ 4.01886 4.16847 1.28111 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.06296e-12 -6.385200000000001e-12 -4.907190000000001e-12 ] [ 1.36252e-10 1.37203e-10 1.3263e-10 ] [ 3.67903e-12 2.58342e-10 2.70389e-10 ] [ 1.37777e-10 4.04701e-10 4.07282e-10 ] [ 2.72906e-10 4.01884e-14 2.69217e-10 ] [ 4.00266e-10 1.36136e-10 4.06132e-10 ] [ 2.83534e-10 2.75342e-10 3.818810000000001e-12 ] [ 4.01886e-10 4.16847e-10 1.28111e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0971962999999998 2.8677169999999994 -1.3022134999999997 ] [ 0.5765311999999999 -1.1709261999999998 -0.8497774999999997 ] [ -1.2431004999999997 2.7874908999999994 -0.11320959999999997 ] [ -0.13290429999999998 -1.6726975999999996 0.5105300999999999 ] [ -0.7252414999999999 0.36609669999999994 -0.18371259999999998 ] [ 1.5025900999999995 -1.7132611999999996 0.6166727999999999 ] [ -2.5894423999999994 0.3980044999999999 -1.3574130999999998 ] [ 1.5143710999999995 -1.8624240999999995 2.6791232999999997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.757902260288263e-09 4.594589132470712e-09 -2.08637602499014e-09 ] [ 9.237048098017688e-10 -1.876030582322185e-09 -1.361493643381872e-09 ] [ -1.99166655840479e-09 4.46605275067275e-09 -1.813817743701196e-10 ] [ -2.129361622637894e-10 -2.67995698838827e-09 8.179593904346859e-10 ] [ -1.161964975733923e-09 5.865515736920313e-10 -2.94340032666382e-10 ] [ 2.407414728865533e-09 -2.744947039963752e-09 9.880187428432742e-10 ] [ -4.148744074188241e-09 6.376735048731935e-10 -2.174815533587652e-09 ] [ 2.426289971635178e-09 -2.98393235103448e-09 4.292428715500544e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.041838 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.774539021426103e-18 } }