{ "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" [ 5.54692 0 0 ] "si-unit" "m" "si-value" [ 5.54692e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.123956 5.52099 0 ] "si-unit" "m" "si-value" [ 1.23956e-11 5.520990000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.202669 -0.109883 5.46638 ] "si-unit" "m" "si-value" [ 2.02669e-11 -1.09883e-11 5.466380000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.000314992 -0.0047744 0.0104344 ] [ 1.40487 1.33719 1.19876 ] [ 0.131099 2.68123 2.80213 ] [ 1.67848 4.08836 4.2255 ] [ 2.84099 -0.0865799 2.6392 ] [ 4.04763 1.27038 4.03721 ] [ 2.8307 2.64898 -0.0339665 ] [ 4.22323 4.11032 1.34741 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.14992e-14 -4.7744e-13 1.04344e-12 ] [ 1.40487e-10 1.33719e-10 1.19876e-10 ] [ 1.31099e-11 2.68123e-10 2.80213e-10 ] [ 1.67848e-10 4.08836e-10 4.225500000000001e-10 ] [ 2.84099e-10 -8.65799e-12 2.639200000000001e-10 ] [ 4.04763e-10 1.27038e-10 4.03721e-10 ] [ 2.8307e-10 2.64898e-10 -3.39665e-12 ] [ 4.22323e-10 4.11032e-10 1.34741e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.764667 0.3693344 -0.5414893 ] [ 0.256344 -0.0717447 1.911849 ] [ -0.3130485 0.3404505 -0.329313 ] [ -0.1415554 -0.9686332 -1.6190304 ] [ -1.7433452 0.4160523 0.3639304 ] [ 3.4640744 -0.9288977 -0.5180995 ] [ -1.0984916 1.9579159 1.017856 ] [ 1.3406894 -1.1144775 -0.285703 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.827308210897273e-09 5.917389409371955e-10 -8.675614968733574e-10 ] [ 4.107083636823552e-10 -1.149476810063097e-10 3.063119770299859e-09 ] [ -5.015589878765089e-10 5.454618316396704e-10 -5.276175895255105e-10 ] [ -2.267967524279923e-10 -1.551921467170691e-09 -2.593972655244472e-09 ] [ -2.7931469214239e-09 6.665892680900678e-10 5.830807784783922e-10 ] [ 5.550059016391787e-09 -1.488258178054892e-09 -8.300869061481697e-10 ] [ -1.759977559665185e-09 3.136927080472591e-09 1.630785086541005e-09 ] [ 2.14802121243438e-09 -1.785589794907632e-09 -4.577466670924224e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -21.595917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.460047332213727e-18 } }