{ "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" [ [ 1.1535107999999998 2.2038029999999997 -0.9161704999999998 ] [ 0.4675141999999999 -0.6962129999999999 -0.7655760999999998 ] [ -0.8585898999999998 1.9411954999999996 0.22046229999999994 ] [ -0.36085349999999994 -1.1195120999999997 0.28259329999999994 ] [ -0.4916393999999999 -0.014792099999999997 -0.047864299999999985 ] [ 1.1336848999999998 -1.1457615999999997 0.34950419999999993 ] [ -2.0327593999999998 -0.04445709999999999 -1.0292633999999998 ] [ 0.9891322999999997 -1.1242624999999997 1.9063143999999996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.848128050826647e-09 3.530881672539102e-09 -1.467866967860097e-09 ] [ 7.490403273032025e-10 -1.115456200887042e-09 -1.226588138968847e-09 ] [ -1.375612675968396e-09 3.110138072125946e-09 3.532195457378981e-10 ] [ -5.781510459971189e-10 -1.793656128100271e-09 4.527643821849521e-10 ] [ -7.876931590337793e-10 -2.369955698779139e-11 -7.668706306276615e-11 ] [ 1.816363457098626e-09 -1.835712463654454e-09 5.599674627248626e-10 ] [ -3.256839613223858e-09 -7.122812683540138e-11 -1.649061769711395e-09 ] [ 1.584764658994678e-09 -1.801267107982424e-09 3.054252388737729e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.250797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.808017991727729e-18 } }