{ "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" [ 5.4238 0 0 ] "si-unit" "m" "si-value" [ 5.4238e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0012341 5.50722 0 ] "si-unit" "m" "si-value" [ -1.2341e-13 5.507220000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.00966142 -0.113973 5.43239 ] "si-unit" "m" "si-value" [ -9.661420000000001e-13 -1.13973e-11 5.43239e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0339885 -0.0385369 0.0299316 ] [ 1.35039 1.32575 1.36375 ] [ -0.105411 2.62445 2.64243 ] [ 1.34087 3.97443 4.1654 ] [ 2.65221 0.0889868 2.75972 ] [ 4.05512 1.26127 4.10909 ] [ 2.71709 2.70534 0.0564386 ] [ 4.05687 4.02913 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -3.39885e-12 -3.85369e-12 2.99316e-12 ] [ 1.35039e-10 1.32575e-10 1.36375e-10 ] [ -1.05411e-11 2.62445e-10 2.64243e-10 ] [ 1.34087e-10 3.97443e-10 4.1654e-10 ] [ 2.652210000000001e-10 8.89868e-12 2.75972e-10 ] [ 4.05512e-10 1.26127e-10 4.10909e-10 ] [ 2.71709e-10 2.70534e-10 5.64386e-12 ] [ 4.05687e-10 4.02913e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1700094 -0.1300847 0.2011326 ] [ -0.5130148 0.4475655 -0.2818283 ] [ 0.9380797 -0.1316017 1.1184292 ] [ -0.2919806 0.479061 -0.8252294 ] [ 0.3683387 -1.9165541 -0.0013585 ] [ -0.0939099 0.5620459 0.0105403 ] [ -0.082908 -0.3126872 -0.1250707 ] [ -0.4946145 1.0022554 -0.0966152 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.723850859962355e-10 -2.084186650637818e-10 3.222499494007181e-10 ] [ -8.219403186843879e-10 7.170789803766625e-10 -4.515387133398086e-10 ] [ 1.502969363787078e-09 -2.108491669975354e-10 1.791921116260047e-09 ] [ -4.678044910471564e-10 7.675403341370688e-10 -1.322163251476812e-09 ] [ 5.90143653675865e-10 -3.070658171518385e-09 -2.1765569393568e-12 ] [ -1.504602462416659e-10 9.004968007964946e-10 1.688742223621824e-11 ] [ -1.328332592772864e-10 -5.009801214634138e-10 -2.003853514870906e-10 ] [ -7.924597882086816e-10 1.605790169950552e-09 -1.547946146539162e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -37.180257 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.956933852073555e-18 } }